9549757
  -OEChem-04242410122D

 26 27  0     0  0  0  0  0  0999 V2000
    2.5058    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    4.0799    7.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.7158    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2018    5.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    5.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    6.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    6.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    3.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452    6.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.8705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    4.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    6.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156    8.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
9549757

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAgAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/gAAHgAACAAADAzBngQ8xvMMGgCgAzRnRACCgCAxIiAI2CA+bJgIJuLCkZOEcAhmwBnI2AeQ0OMOIAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzo[c]quinolizin-11-ium-9-ol;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
9-benzo[c]quinolizin-11-iumol;iodide

> <PUBCHEM_IUPAC_NAME_MARKUP>
benzo[c]quinolizin-11-ium-9-ol;iodide

> <PUBCHEM_IUPAC_NAME>
benzo[c]quinolizin-11-ium-9-ol;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
benzo[c]quinolizin-11-ium-9-ol;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzo[c]quinolizin-11-ium-9-ol;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9NO.HI/c15-12-7-5-10-4-6-11-3-1-2-8-14(11)13(10)9-12;/h1-9H;1H

> <PUBCHEM_IUPAC_INCHIKEY>
UGIBZWZNJQQVFP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
322.98071

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10INO

> <PUBCHEM_MOLECULAR_WEIGHT>
323.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)O.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)O.[I-]

> <PUBCHEM_CACTVS_TPSA>
24.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.98071

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  14  8
12  16  8
13  14  8
15  16  8
3  10  8
3  4  8
3  6  8
4  5  8
4  9  8
5  11  8
5  7  8
6  12  8
6  8  8
7  8  8
9  13  8

$$$$