4681849
  -OEChem-05142407412D

 43 42  0     0  0  0  0  0  0999 V2000
    4.0000   -0.2009    0.0000 In  0  0  0  0  0  0  0  0  0  0  0  0
    3.0602   -0.5429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    0.1411    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.2991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7991    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.2009    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7009    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8660    2.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980   -0.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339    2.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -2.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339    3.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980   -2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    3.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -1.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -2.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    0.9068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369    1.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -1.3085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120   -1.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4029   -0.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    1.9891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1951   -2.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    3.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980   -3.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4029    3.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -4.3359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010   -0.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -4.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010   -2.5109    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  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 13  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  2  0  0  0  0
  9 12  1  0  0  0  0
  9 21  2  0  0  0  0
 10 13  1  0  0  0  0
 10 22  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  2  0  0  0  0
 17 35  1  0  0  0  0
 18 24  2  0  0  0  0
 18 36  1  0  0  0  0
 19 25  2  0  0  0  0
 19 37  1  0  0  0  0
 20 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  CHG  3   5   1   6   1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
4681849

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
257

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAGAAAAAAEAAAAAAAAAAAAAAAAsWLAAAAAAAAAB+AAAHgAACAAACADBkgQ8hJIIEgCgADBnRACCgCAxIiAI2CA+bJwIJuLCkZOEcAhkwBHI2AaQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-pyridyloxonium;trichloroindigane

> <PUBCHEM_IUPAC_CAS_NAME>
2-pyridinyloxonium;trichloroindigane

> <PUBCHEM_IUPAC_NAME_MARKUP>
pyridin-2-yloxidanium;trichloroindigane

> <PUBCHEM_IUPAC_NAME>
pyridin-2-yloxidanium;trichloroindigane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridin-2-yloxidanium;tris(chloranyl)indigane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-pyridyloxonium;trichloroindigane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C5H5NO.3ClH.In/c3*7-5-3-1-2-4-6-5;;;;/h3*1-4H,(H,6,7);3*1H;/q;;;;;;+3

> <PUBCHEM_IUPAC_INCHIKEY>
UKMKOKCDFVDLJP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
507.945253

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18Cl3InN3O3+3

> <PUBCHEM_MOLECULAR_WEIGHT>
509.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)[OH2+].C1=CC=NC(=C1)[OH2+].C1=CC=NC(=C1)[OH2+].Cl[In](Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)[OH2+].C1=CC=NC(=C1)[OH2+].C1=CC=NC(=C1)[OH2+].Cl[In](Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
41.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
507.945253

> <PUBCHEM_TOTAL_CHARGE>
3

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  5  6
1  6  6
1  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  22  8
11  14  8
12  15  8
13  16  8
14  17  8
15  18  8
16  19  8
17  23  8
18  24  8
19  25  8
20  23  8
21  24  8
22  25  8
8  11  8
8  20  8
9  12  8
9  21  8

$$$$