69111557
  -OEChem-04262406542D

 63 64  0     0  0  0  0  0  0999 V2000
    0.8660    5.6894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1894    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3660    6.5554    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    6.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    4.8234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9443    1.5398    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9443    8.2278    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9443    3.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9443    9.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5279    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5279    9.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981    9.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981    8.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    3.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369    4.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543   10.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369   10.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    9.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320   10.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    8.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2550    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2550    7.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    9.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    8.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1179    3.2335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2566    4.0992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908    4.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2269    4.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464    4.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    3.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1179    9.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2566   10.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908   10.9258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2269   10.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464   11.3788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469   10.5982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    1.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1479    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    2.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    8.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1479    9.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    9.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320   10.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    0.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    7.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656    0.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656    7.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476    6.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    7.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    9.8425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    1.5346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    8.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  2  0  0  0  0
 13 15  1  0  0  0  0
 13 23  2  0  0  0  0
 14 24  2  0  0  0  0
 15 25  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 28  1  0  0  0  0
 22 50  1  0  0  0  0
 23 29  1  0  0  0  0
 23 51  1  0  0  0  0
 24 30  1  0  0  0  0
 24 52  1  0  0  0  0
 25 31  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 30  2  0  0  0  0
 28 60  1  0  0  0  0
 29 31  2  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
M  CHG  4   2  -1   3  -1   6   1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
69111557

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OABAAAAAAAAAAAAAAAAAAQIAAAAwYAAAAAAAAEABQAAAHAAAAAAADgiBGAQywIMAAACgAyRiRDCCAAAhAgAIiAA4ZIgIICLAkZGEIAhggABIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_NAME>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,3-tetramethylindol-1-ium;sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C12H16N.H2O4S/c2*1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h2*5-8H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
UFUXHPQEAFDMDD-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
444.20827868

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
444.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=[N+](C2=CC=CC=C2C1(C)C)C.CC1=[N+](C2=CC=CC=C2C1(C)C)C.[O-]S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=[N+](C2=CC=CC=C2C1(C)C)C.CC1=[N+](C2=CC=CC=C2C1(C)C)C.[O-]S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
94.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
444.20827868

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
12  22  8
13  15  8
13  23  8
14  24  8
15  25  8
22  28  8
23  29  8
24  30  8
25  31  8
28  30  8
29  31  8

$$$$