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

Systemtic Name: 2-[1-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Openeye Name: 2-[1-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate CAS Name: 2-[1-[[2-(2-chlorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]butanoate IUPAC Name: 2-[1-[[2-(2-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Traditional Name: 2-[1-[2-(2-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=C3Cl

Isomeric SMILES

CCC(C(=O)[O-])[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=CC=C3Cl

InChI

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