1-[2-[3-(2-methylphenyl)-3-phenyl-propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: 1-[2-[3-(2-methylphenyl)-3-phenyl-propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Openeye Name: 1-[2-[3-(o-tolyl)-3-phenyl-propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride CAS Name: 1-[2-[3-(2-methylphenyl)-3-phenylpropoxy]ethyl]-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 1-[2-[3-(2-methylphenyl)-3-phenylpropoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Traditional Name: 1-[2-[3-(o-tolyl)-3-phenyl-propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Formula: C24H32ClNO3 MolecularWeight: 417.96878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCOCC[NH+]2CCCC(C2)C(=O)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(CCOCC[NH+]2CCCC(C2)C(=O)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H31NO3.ClH/c1-19-8-5-6-12-22(19)23(20-9-3-2-4-10-20)13-16-28-17-15-25-14-7-11-21(18-25)24(26)27;/h2-6,8-10,12,21,23H,7,11,13-18H2,1H3,(H,26,27);1H