73193565
  -OEChem-09292123572D

 50 54  0     1  0  0  0  0  0999 V2000
    4.8757    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6364    4.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3046   10.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2465    5.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    8.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7417    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    9.9548    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1347    8.0062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3935    8.9721    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4064    7.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603    8.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    7.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252    8.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    7.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   10.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   10.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571    6.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4681    9.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415    7.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2097    7.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244    5.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4982    9.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0608    6.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715    8.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    4.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1725    9.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3981    8.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218    6.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8473    6.7757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    9.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460    8.7448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2769   10.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   11.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   10.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1009   10.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   10.7648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    9.9178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    5.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2393   10.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316    7.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4252    7.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    3.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7514    9.3018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4541   10.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  2 25  1  0  0  0  0
  2 29  1  0  0  0  0
  3 26  1  0  0  0  0
  3 30  1  0  0  0  0
  4 27  1  0  0  0  0
  4 29  1  0  0  0  0
  5 28  1  0  0  0  0
  5 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  2  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 25  1  0  0  0  0
 21 43  1  0  0  0  0
 22 26  1  0  0  0  0
 22 44  1  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  0  0  0  0
 24 28  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  CHG  2   6  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
73193565

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
604

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6PAAEAAAAAAAAAAAAAAAAASJAAAA8eIEAAAAYAEixQAAAHgAAAAAADCzBmAcyDoMABACAAiBCAACCCAAgIAAAiAAOjIgdJiKEsRukMCpkwBGOqAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_CAS_NAME>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_NAME_MARKUP>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.0<SUP>2,10</SUP>.0<SUP>4,8</SUP>.0<SUP>13,21</SUP>.0<SUP>15,19</SUP>]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_NAME>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;perchlorate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20NO4.ClHO4/c1-21(2)15-3-11-5-17-19(24-9-22-17)7-13(11)16(21)4-12-6-18-20(8-14(12)15)25-10-23-18;2-1(3,4)5/h5-8,15-16H,3-4,9-10H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
WNHYBHNDRRHULH-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
437.0877443

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20ClNO8

> <PUBCHEM_MOLECULAR_WEIGHT>
437.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC6=C(C=C25)OCO6)OCO4)C.[O-]Cl(=O)(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC6=C(C=C25)OCO6)OCO4)C.[O-]Cl(=O)(=O)=O

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
437.0877443

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  3
12  14  3
15  17  8
15  21  8
16  18  8
16  22  8
17  23  8
18  24  8
21  25  8
22  26  8
23  27  8
24  28  8
25  27  8
26  28  8

$$$$
