70041622
  -OEChem-04192405382D

 45 47  0     1  0  0  0  0  0999 V2000
    4.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5505    4.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9155    5.9421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196    4.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.3661    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8882    6.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5911    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6065    6.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9155    5.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    5.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438    4.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    7.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2245    6.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    4.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    8.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    5.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2399    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986    4.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6210    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9429    6.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2112    3.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    5.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    5.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    5.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090    6.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    6.0671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8307    7.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0687    7.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    4.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0708    4.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0355    8.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    9.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7955    8.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    4.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4247    7.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0341    4.9037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5488    6.4880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652    6.2367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6223    2.9351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    2.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    3.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    6.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2744    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2 10  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70041622

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
451

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB+AAAHgAAAAAADQzBngQ+wLMMGACoA7R3RACCgCA3AiAI2CG4ZNgIIPLAlbGEIQhggADIyQcYicCegAAAAAAAAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-methyl-3-[(2-methyl-3-pyridyl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
10-methyl-3-[(2-methyl-3-pyridinyl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-methyl-3-[(2-methylpyridin-3-yl)methyl]-2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
10-methyl-3-[(2-methylpyridin-3-yl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methyl-3-[(2-methylpyridin-3-yl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-methyl-3-[(2-methyl-3-pyridyl)methyl]-2,3-dihydro-1H-pyrid[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O.ClH/c1-13-17-9-8-16(12-15-6-5-10-21-14(15)2)20(23)19(17)22-11-4-3-7-18(13)22;/h3-7,10-11,16H,8-9,12H2,1-2H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
ZHTVPKISLJARGU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
340.1342410

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
340.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C=CC=CN2C3=C1CCC(C3=O)CC4=C(N=CC=C4)C.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C=CC=CN2C3=C1CCC(C3=O)CC4=C(N=CC=C4)C.Cl

> <PUBCHEM_CACTVS_TPSA>
34.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.1342410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  13  8
13  17  8
14  18  8
14  21  8
16  19  8
17  20  8
19  20  8
21  23  8
23  24  8
3  13  8
3  16  8
3  9  8
4  18  8
4  24  8
5  11  3
8  12  8
8  9  8

$$$$