70630285
  -OEChem-05032420102D

 29 30  0     0  0  0  0  0  0999 V2000
    2.3358    1.1546    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3358    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    2.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    3.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    7.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    3.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452    3.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    2.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    4.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    4.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989    7.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    7.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    7.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    6.8959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
70630285

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/gAAHAAAAAAADAjBHgQ+wPMMGACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_CAS_NAME>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_NAME_MARKUP>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_NAME>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzo[a]quinolizin-5-ium;methane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N.CH4/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14;/h1-10H;1H4/q+1;

> <PUBCHEM_IUPAC_INCHIKEY>
KPAZOHMNDIKARO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
196.112624451

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N+

> <PUBCHEM_MOLECULAR_WEIGHT>
196.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C.C1=CC=C2C(=C1)C=C[N+]3=CC=CC=C23

> <PUBCHEM_OPENEYE_ISO_SMILES>
C.C1=CC=C2C(=C1)C=C[N+]3=CC=CC=C23

> <PUBCHEM_CACTVS_TPSA>
4.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.112624451

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  2  8
1  5  8
1  9  8
10  14  8
11  13  8
12  14  8
2  3  8
2  7  8
3  4  8
3  8  8
4  10  8
4  6  8
5  6  8
7  11  8
8  12  8
9  13  8

$$$$