3-(2-pentan-3-ylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(2-pentan-3-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-[2-(1-ethylpropyl)piperidin-1-ium-1-yl]propyl benzoate chloride CAS Name: benzoic acid 3-(2-pentan-3-yl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-pentan-3-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-[2-(1-ethylpropyl)piperidin-1-ium-1-yl]propyl ester chloride Formula: C20H32ClNO2 MolecularWeight: 353.92658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC(CC)C1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H31NO2.ClH/c1-3-17(4-2)19-13-8-9-14-21(19)15-10-16-23-20(22)18-11-6-5-7-12-18;/h5-7,11-12,17,19H,3-4,8-10,13-16H2,1-2H3;1H