2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[2-(3-chlorophenyl)benzyl]oxypiperidin-1-ium-1-yl]propionic acid Formula: C21H25ClNO3+ MolecularWeight: 374.8811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3/c1-16(21(24)25)23(12-5-2-6-13-23)26-15-18-8-3-4-11-20(18)17-9-7-10-19(22)14-17/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3/p+1