70376929
  -OEChem-05102422082D

 35 37  0     0  0  0  0  0  0999 V2000
    7.5602    3.6501    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    4.0678    5.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3358    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    6.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    5.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    7.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    6.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452    6.9653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    5.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    7.8093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    6.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 22  1  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
70376929

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
320

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6AAAAEAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHAAAAAAADAjBHgQ8wPMMGACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_CAS_NAME>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_NAME>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-phenylbenzo[a]quinolizin-5-ium;bromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14N.BrH/c1-2-8-15(9-3-1)18-14-20-13-7-6-12-19(20)17-11-5-4-10-16(17)18;/h1-14H;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
GUQWEDXMRYTYAL-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
335.03096

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14BrN

> <PUBCHEM_MOLECULAR_WEIGHT>
336.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3C4=CC=CC=C42.[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3C4=CC=CC=C42.[Br-]

> <PUBCHEM_CACTVS_TPSA>
4.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.03096

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  14  8
11  15  8
12  16  8
13  14  8
15  16  8
17  19  8
18  20  8
19  21  8
2  12  8
2  6  8
2  7  8
20  21  8
3  4  8
3  5  8
3  9  8
4  10  8
4  6  8
5  7  8
6  11  8
8  17  8
8  18  8
9  13  8

$$$$