3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(4-pentyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(4-amylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C20H32ClNO2 MolecularWeight: 353.92658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCC1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H31NO2.ClH/c1-2-3-5-9-18-12-15-21(16-13-18)14-8-17-23-20(22)19-10-6-4-7-11-19;/h4,6-7,10-11,18H,2-3,5,8-9,12-17H2,1H3;1H