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

Systemtic Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Openeye Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate CAS Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]butanoate IUPAC Name: 2-[1-[[2-(3-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Traditional Name: 2-[1-[2-(3-chlorophenyl)benzyl]oxypiperidin-1-ium-1-yl]butyrate Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-2-21(22(25)26)24(13-6-3-7-14-24)27-16-18-9-4-5-12-20(18)17-10-8-11-19(23)15-17/h4-5,8-12,15,21H,2-3,6-7,13-14,16H2,1H3