1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate hydrochloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate hydrochloride Openeye Name: quinuclidin-3-yl 2-(hydroxymethyl)-2-phenyl-butanoate hydrochloride CAS Name: 2-(hydroxymethyl)-2-phenylbutanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate hydrochloride Traditional Name: 2-methylol-2-phenyl-butyric acid quinuclidin-3-yl ester hydrochloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Cl

Isomeric SMILES

CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Cl

InChI

InChI=1S/C18H25NO3.ClH/c1-2-18(13-20,15-6-4-3-5-7-15)17(21)22-16-12-19-10-8-14(16)9-11-19;/h3-7,14,16,20H,2,8-13H2,1H3;1H