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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenyl-pentanoate hydrochloride Openeye Name: quinuclidin-3-yl 2-(hydroxymethyl)-2-phenyl-pentanoate hydrochloride CAS Name: 2-(hydroxymethyl)-2-phenylpentanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrochloride IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylpentanoate hydrochloride Traditional Name: 2-methylol-2-phenyl-valeric acid quinuclidin-3-yl ester hydrochloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3.ClH/c1-2-10-19(14-21,16-6-4-3-5-7-16)18(22)23-17-13-20-11-8-15(17)9-12-20;/h3-7,15,17,21H,2,8-14H2,1H3;1H