70354972
  -OEChem-04242421402D

 55 56  0     0  0  0  0  0  0999 V2000
    0.0000    5.1694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5021    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2414    2.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705    9.8096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724    8.3095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6064    4.2707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    8.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    9.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7044    8.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7044   10.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705    8.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2974    5.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064    6.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724    7.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    5.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9009    3.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4365   10.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308    5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3118    3.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3015    9.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6264   10.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    9.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3059    7.8346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030    7.8346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1030   10.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3059   10.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    8.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1811    8.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    8.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8943    7.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958    6.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    6.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830    7.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    6.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596    5.7880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998    5.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308    4.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    3.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824    3.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7465    9.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9734   10.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1265   10.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156    6.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0929    2.8986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2397    4.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249    3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    5.1694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  1  0  0  0  0
  2 55  1  0  0  0  0
  3 21  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 36  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  2  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70354972

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
446

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAGAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB4AAAHgAQAAAADCzBngQ+wLPMGACoA7R3RACCgCA3AiAI2KG4ZNgIIPLA1bGEIQhgkADIyQcYicCegAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-[2-[(1-methyl-4-piperidyl)amino]ethyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
10-[2-[(1-methyl-4-piperidinyl)amino]ethyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
10-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-[2-[(1-methyl-4-piperidyl)amino]ethyl]-2,3-dihydro-1H-pyrid[1,2-a]indol-4-one;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H27N3O.2ClH/c1-22-13-9-15(10-14-22)21-11-8-16-17-5-4-7-19(24)20(17)23-12-3-2-6-18(16)23;;/h2-3,6,12,15,21H,4-5,7-11,13-14H2,1H3;2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
JGRSXSOKJLXNMH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
397.1687679

> <PUBCHEM_MOLECULAR_FORMULA>
C20H29Cl2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
398.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC(CC1)NCCC2=C3C=CC=CN3C4=C2CCCC4=O.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC(CC1)NCCC2=C3C=CC=CN3C4=C2CCCC4=O.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
36.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.1687679

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  18  8
13  16  8
18  23  8
23  25  8
24  26  8
25  26  8
6  16  8
6  18  8
6  24  8

$$$$