70354479
  -OEChem-05102404032D

 35 36  0     0  0  0  0  0  0999 V2000
    2.6044    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2106    2.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755    4.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    8.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    5.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    5.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    4.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    5.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    3.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    6.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416    7.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810    3.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029    4.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    6.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    5.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    5.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563    3.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    3.0912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    7.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650    6.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    2.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0847    6.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536    6.7432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5521    7.4334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6941    3.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2088    4.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    8.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    8.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6044    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  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  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70354479

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
305

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB4AAAHgAQAAAADAzBngQ8wLNMGACoA7R3RACCgCA3AiAI2KG4ZNgIIPLAlbGEIQhgkADIyQcYicCegAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O.ClH/c15-8-7-10-11-4-3-6-13(17)14(11)16-9-2-1-5-12(10)16;/h1-2,5,9H,3-4,6-8,15H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
OIBCLDJUXUKBKS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
264.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
264.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C(=O)C1)N3C=CC=CC3=C2CCN.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C(=O)C1)N3C=CC=CC3=C2CCN.Cl

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  15  8
14  17  8
15  18  8
17  18  8
3  10  8
3  14  8
3  6  8
5  6  8
5  8  8
8  10  8

$$$$