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

Systemtic Name: 3-(2-hexylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(2-hexylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(2-hexyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-hexylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(2-hexylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C21H34ClNO2 MolecularWeight: 367.95316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H33NO2.ClH/c1-2-3-4-8-14-20-15-9-10-16-22(20)17-11-18-24-21(23)19-12-6-5-7-13-19;/h5-7,12-13,20H,2-4,8-11,14-18H2,1H3;1H