3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chloranylbenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chloranylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chlorobenzoate chloride CAS Name: 4-chlorobenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chlorobenzoate chloride Traditional Name: 4-chlorobenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C16H23Cl2NO2 MolecularWeight: 332.26532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C16H22ClNO2.ClH/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14;/h6-9,13H,2-5,10-12H2,1H3;1H