(R)-[(2S,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide

Systemtic Name: (R)-[(2S,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide Openeye Name: (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-1-[[4-(trifluoromethyl)phenyl]methyl]-5-vinyl-quinuclidin-1-ium-2-yl]methanol bromide CAS Name: (R)-[(2S,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol bromide IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide Traditional Name: (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-1-[4-(trifluoromethyl)benzyl]-5-vinyl-quinuclidin-1-ium-2-yl]methanol bromide Formula: C28H30BrF3N2O2 MolecularWeight: 563.44921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)CC5=CC=C(C=C5)C(F)(F)F)O.[Br-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[N+]3(C[C@@H]4C=C)CC5=CC=C(C=C5)C(F)(F)F)O.[Br-]

InChI

InChI=1S/C28H30F3N2O2.BrH/c1-3-19-17-33(16-18-4-6-21(7-5-18)28(29,30)31)13-11-20(19)14-26(33)27(34)23-10-12-32-25-9-8-22(35-2)15-24(23)25;/h3-10,12,15,19-20,26-27,34H,1,11,13-14,16-17H2,2H3;1H/q+1;/p-1/t19-,20-,26-,27+,33?;/m0./s1