(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-1-ium-4-yl)methanol; pyridine-3-carboxylate

Systemtic Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-1-ium-4-yl)methanol; pyridine-3-carboxylate Openeye Name: (6-methoxyquinolin-1-ium-4-yl)-(5-vinylquinuclidin-2-yl)methanol; pyridine-3-carboxylate CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolin-1-iumyl)methanol; 3-pyridinecarboxylate IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-1-ium-4-yl)methanol; pyridine-3-carboxylate Traditional Name: (6-methoxyquinolin-1-ium-4-yl)-(5-vinylquinuclidin-2-yl)methanol; nicotinate Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2.C6H5NO2/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;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)