[(E)-1-azabicyclo[2.2.2]octan-2-ylidenemethyl] 3-methyl-2-oxidanyl-2-phenyl-butanoate hydrochloride

Systemtic Name: [(E)-1-azabicyclo[2.2.2]octan-2-ylidenemethyl] 3-methyl-2-oxidanyl-2-phenyl-butanoate hydrochloride Openeye Name: [(E)-quinuclidin-2-ylidenemethyl] 2-hydroxy-3-methyl-2-phenyl-butanoate hydrochloride CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid [(E)-1-azabicyclo[2.2.2]octan-2-ylidenemethyl] ester hydrochloride IUPAC Name: [(E)-1-azabicyclo[2.2.2]octan-2-ylidenemethyl] 2-hydroxy-3-methyl-2-phenylbutanoate hydrochloride Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid [(E)-quinuclidin-2-ylidenemethyl] ester hydrochloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OC=C2CC3CCN2CC3)O.Cl

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)O/C=C/2\CC3CCN2CC3)O.Cl

InChI

InChI=1S/C19H25NO3.ClH/c1-14(2)19(22,16-6-4-3-5-7-16)18(21)23-13-17-12-15-8-10-20(17)11-9-15;/h3-7,13-15,22H,8-12H2,1-2H3;1H/b17-13+;