3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(2-pentyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(2-amylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C20H32ClNO2 MolecularWeight: 353.92658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

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