2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate hydrochloride

Systemtic Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate hydrochloride Openeye Name: 2-[1-[[2-(p-tolyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate hydrochloride CAS Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoate hydrochloride IUPAC Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoate hydrochloride Traditional Name: 2-[1-[2-(p-tolyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoate hydrochloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C.Cl

Isomeric SMILES

CCCCC(C(=O)[O-])[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C.Cl

InChI

InChI=1S/C25H33NO3.ClH/c1-3-4-12-24(25(27)28)26(17-8-5-9-18-26)29-19-22-10-6-7-11-23(22)21-15-13-20(2)14-16-21;/h6-7,10-11,13-16,24H,3-5,8-9,12,17-19H2,1-2H3;1H