null
  CDK     0224162204
null
 24 27  0  0  0  0  0  0  0  0999 V2000
   -6.8562   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418   -1.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4273   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -3.0541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128   -3.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4273   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -0.1666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5694    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    0.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -0.5791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1405    0.6584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4260    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    1.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983   -0.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  3  1  0  0  0  0 
  6 13  1  0  0  0  0 
 14 13  1  1  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 14  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 16  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  2  0  0  0  0 
 13 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:95172

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

> <STAR>
2

> <FORMULA>
C20H24N2O2

> <MASS>
324.418

> <MONOISOTOPIC_MASS>
324.18378

> <CHARGE>
0

> <SMILES>
COC1=CC2=C(C=CN=C2C=C1)C([C@H]3CC4CCN3C[C@@H]4C=C)O

> <INCHI>
InChI=1S/C20H24N2O2/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/t13-,14?,19+,20?/m0/s1

> <INCHIKEY>
LOUPRKONTZGTKE-BEFZOFJQSA-N

> <LINCS_ACCESSION>
LSM-6452

$$$$