11630759
  CDK     0602212311

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.1348    0.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341    1.1968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -2.6935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486    1.6092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9946    1.1538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5637    0.1939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3605   -0.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460    0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294    2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    2.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    1.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -0.2186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8492   -1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4018    0.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974   -1.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974   -2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4559    1.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106    0.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0 
  2  6  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 17  1  0  0  0  0 
  3 19  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4 23  1  1  0  0  0 
  5  8  1  0  0  0  0 
  5 11  1  1  0  0  0 
  6  7  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 24  1  1  0  0  0 
  9 10  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 22  2  0  0  0  0 
M  END
> <ID>
CHEBI:174145

> <NAME>
Hydrocinchonine

> <STAR>
2

> <IUPAC_NAME>
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

> <FORMULA>
C19H24N2O

> <MASS>
296.414

> <MONOISOTOPIC_MASS>
296.18886

> <CHARGE>
0

> <SMILES>
O[C@H]([C@@]1(N2C[C@@H]([C@](C1)(CC2)[H])CC)[H])C=3C=4C(N=CC3)=CC=CC4

> <INCHI>
InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18+,19-/m0/s1

> <INCHIKEY>
WFJNHVWTKZUUTR-QAMTZSDWSA-N

> <CAS_REGISTRY_NUMBER>
485-65-4

> <CHEMIDPLUS>
485-65-4

$$$$