1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(1-phenylpiperidin-3-yl)propanoate dihydrochloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(1-phenylpiperidin-3-yl)propanoate dihydrochloride Openeye Name: quinuclidin-3-yl 2-hydroxy-2-(1-phenyl-3-piperidyl)propanoate dihydrochloride CAS Name: 2-hydroxy-2-(1-phenyl-3-piperidinyl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester dihydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(1-phenylpiperidin-3-yl)propanoate dihydrochloride Traditional Name: 2-hydroxy-2-(1-phenyl-3-piperidyl)propionic acid quinuclidin-3-yl ester dihydrochloride Formula: C21H32Cl2N2O3 MolecularWeight: 431.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O.Cl.Cl

Isomeric SMILES

CC(C1CCCN(C1)C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O.Cl.Cl

InChI

InChI=1S/C21H30N2O3.2ClH/c1-21(25,20(24)26-19-15-22-12-9-16(19)10-13-22)17-6-5-11-23(14-17)18-7-3-2-4-8-18;;/h2-4,7-8,16-17,19,25H,5-6,9-15H2,1H3;2*1H