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

Systemtic Name: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl] benzoate hydrochloride Openeye Name: [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] benzoate hydrochloride CAS Name: benzoic 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] benzoate hydrochloride Traditional Name: benzoic acid [4-quinolyl-(5-vinylquinuclidin-2-yl)methyl] ester hydrochloride Formula: C26H27ClN2O2 MolecularWeight: 434.95778

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C26H26N2O2.ClH/c1-2-18-17-28-15-13-20(18)16-24(28)25(30-26(29)19-8-4-3-5-9-19)22-12-14-27-23-11-7-6-10-21(22)23;/h2-12,14,18,20,24-25H,1,13,15-17H2;1H