(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol sulfate hydrate

Systemtic Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol sulfate hydrate Openeye Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol sulfate hydrate CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol sulfate hydrate IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol sulfate hydrate Traditional Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol sulfate hydrate Formula: C20H26N2O7S-2 MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H24N2O2.H2O4S.H2O/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;1-5(2,3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);1H2/p-2