3-arsonopropanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Systemtic Name: 3-arsonopropanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Openeye Name: 3-arsonopropanoic acid; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol CAS Name: 3-arsonopropanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol IUPAC Name: 3-arsonopropanoic acid; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Traditional Name: 3-arsonopropionic acid; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol Formula: C23H31AsN2O7 MolecularWeight: 522.42304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2.C3H7AsO5/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;5-3(6)1-2-4(7,8)9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-2H2,(H,5,6)(H2,7,8,9)