70394756
  -OEChem-05032421162D

 38 39  0     0  0  0  0  0  0999 V2000
    3.0931    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2106    2.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755    4.2842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    8.3230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    5.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    4.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    5.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    5.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    5.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    3.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    7.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029    4.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    3.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802    4.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    6.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    5.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    5.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563    3.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    3.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    7.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650    6.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0847    6.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    2.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536    6.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5521    7.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6941    3.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7115    4.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1862    5.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4490    5.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    8.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    8.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70394756

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB4AAAHgAQAAAADAzBngQ+wLNMGACoA7R3RACCgCA3AiAI2KG4ZNgIIHLAlbGEIQhgkADIyQcYicCegAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-(2-aminoethyl)-8-methyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
10-(2-aminoethyl)-8-methyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-(2-aminoethyl)-8-methyl-2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
10-(2-aminoethyl)-8-methyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-(2-azanylethyl)-8-methyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-(2-aminoethyl)-8-methyl-2,3-dihydro-1H-pyrid[1,2-a]indol-4-one;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18N2O.ClH/c1-10-6-8-17-13(9-10)11(5-7-16)12-3-2-4-14(18)15(12)17;/h6,8-9H,2-5,7,16H2,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
XSBYPHKAJGVXSB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
278.1185909

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
278.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C3=C(N2C=C1)C(=O)CCC3)CCN.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C3=C(N2C=C1)C(=O)CCC3)CCN.Cl

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.1185909

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
14  17  8
15  18  8
17  18  8
3  15  8
3  6  8
3  9  8
5  6  8
5  7  8
7  9  8
9  14  8

$$$$