(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol thiocyanate

Systemtic Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol thiocyanate Openeye Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-1-ium-2-yl)methanol thiocyanate CAS Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol thiocyanate IUPAC Name: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol thiocyanate Traditional Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-1-ium-2-yl)methanol thiocyanate Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[NH+]3CC4C=C)O.C(#N)[S-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[NH+]3CC4C=C)O.C(#N)[S-]

InChI

InChI=1S/C20H24N2O2.CHNS/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;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H