[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate hydrochloride

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate hydrochloride Openeye Name: [(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methyl] benzoate hydrochloride CAS Name: benzoic acid [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methyl] ester hydrochloride IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate hydrochloride Traditional Name: benzoic acid [(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methyl] ester hydrochloride Formula: C27H29ClN2O3 MolecularWeight: 464.98376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H28N2O3.ClH/c1-3-18-17-29-14-12-20(18)15-25(29)26(32-27(30)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(31-2)16-23(22)24;/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3;1H