91558
  -OEChem-04262409142D

 50 52  0     1  0  0  0  0  0999 V2000
    5.0187    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    7.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    5.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4938    8.2600    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.9362    3.5443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3598    8.7600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8022    7.0443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7682    6.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7491    8.2079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7304   10.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3265    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    9.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    6.5443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6888    8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    5.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4548    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    5.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    5.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    4.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    5.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8022    4.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762    3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    5.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    4.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    5.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0960    9.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5865    7.3721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6018    6.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3638    6.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7581    8.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2844   10.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361   10.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0476    6.7479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    7.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701   10.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3104    9.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362    7.1643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7965    9.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    7.6643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3472    7.2966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375    8.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3392    5.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    6.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3392    3.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    2.8896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344    3.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    5.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8461    4.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 50  1  0  0  0  0
 13  2  1  1  0  0  0
  2 39  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 19  2  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  1  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  6  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 14  1  1  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 14 38  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACx8AAAHgAACAAADTzhngY+xvMIFgCgAzRnRACCiCAxIiAI2CA+bJgONuLEsZuEcChkwBHY+Aew4PwOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>R</I>)-[(2<I>S</I>,4<I>S</I>,5<I>R</I>)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
LBSFSRMTJJPTCW-DSXUQNDKSA-N

> <PUBCHEM_EXACT_MASS>
360.1604557

> <PUBCHEM_MOLECULAR_FORMULA>
C20H25ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
360.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl

> <PUBCHEM_CACTVS_TPSA>
45.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
360.1604557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
15  17  8
15  18  8
17  19  8
17  20  8
18  21  8
19  22  8
13  2  5
20  23  8
22  24  8
23  24  8
5  19  8
5  21  8
6  26  5
7  27  6
9  14  5

$$$$