2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(4-chlorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[2-(4-chlorophenyl)benzyl]oxypiperidin-1-ium-1-yl]propionic acid Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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