45479889
  -OEChem-05102419322D

 42 44  0     0  0  0  0  0  0999 V2000
    8.4406    4.0030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3067    4.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5746    3.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    4.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    3.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    5.3167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3222    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    2.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    5.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    6.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    2.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1062    6.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    2.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    7.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9742    7.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7251    4.0067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    4.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315    5.5074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    7.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    6.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    6.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    5.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    2.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8474    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3739    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2821    6.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5123    7.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663    7.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8436    4.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2 42  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  2  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 21  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 25  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  CHG  1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
45479889

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
466

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAADx/gAAHAAACAAADAjBHgQ+wPMMGACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_CAS_NAME>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_NAME>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7,10-dimethylnaphtho[2,1-b]quinolizin-12-ium;perchloric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16N.ClHO4/c1-13-7-10-19-14(2)16-9-8-15-5-3-4-6-17(15)18(16)12-20(19)11-13;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;

> <PUBCHEM_IUPAC_INCHIKEY>
HATVKTFKFQUYGO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
358.0846107

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17ClNO4+

> <PUBCHEM_MOLECULAR_WEIGHT>
358.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C[N+]2=C(C=C1)C(=C3C=CC4=CC=CC=C4C3=C2)C.OCl(=O)(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C[N+]2=C(C=C1)C(=C3C=CC4=CC=CC=C4C3=C2)C.OCl(=O)(=O)=O

> <PUBCHEM_CACTVS_TPSA>
75.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.0846107

> <PUBCHEM_TOTAL_CHARGE>
1

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
11  13  8
11  20  8
13  17  8
13  22  8
14  17  8
15  19  8
16  21  8
19  21  8
20  23  8
22  24  8
23  24  8
6  10  8
6  12  8
6  15  8
7  11  8
7  12  8
7  8  8
8  14  8
8  9  8
9  10  8

$$$$