66063
  -OEChem-06191306192D

 46 47  0     0  0  0  0  0  0999 V2000
    7.4776    4.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    1.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    2.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6717    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 46  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  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
 13 36  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 15 19  2  0  0  0  0
 15 38  1  0  0  0  0
 16 20  2  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  0  0  0  0
 17 40  1  0  0  0  0
 18 22  2  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66063

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
268

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAAAAAADBThmAYyAIMABACAAiBCAAACAAAgAAAIiAAICIgIJiKAsRiGMAAmwAGIqAeQwOAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-benzhydryloxy-1-methyl-piperidine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
4-(diphenylmethyl)oxy-1-methylpiperidine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
4-benzhydryloxy-1-methylpiperidine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(diphenylmethyl)oxy-1-methyl-piperidine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-benzhydryloxy-1-methyl-piperidine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
LPRLDRXGWKXRMQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
317.154642

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
317.85296

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.154642

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
11  14  8
11  16  8
12  13  8
12  15  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  21  8
20  22  8

$$$$