[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-methoxybenzoate hydrochloride

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] 4-methoxybenzoate hydrochloride Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] 4-methoxybenzoate hydrochloride CAS Name: 4-methoxybenzoic acid [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl] ester hydrochloride IUPAC Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] 4-methoxybenzoate hydrochloride Traditional Name: 4-methoxybenzoic acid [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=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=CC=NC5=CC=CC=C45.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC(C2CC3CCN2CC3C=C)C4=CC=NC5=CC=CC=C45.Cl

InChI

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