2-(3-methylpiperidin-1-ium-1-yl)ethyl benzoate chloride

Systemtic Name: 2-(3-methylpiperidin-1-ium-1-yl)ethyl benzoate chloride Openeye Name: 2-(3-methylpiperidin-1-ium-1-yl)ethyl benzoate chloride CAS Name: benzoic acid 2-(3-methyl-1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-(3-methylpiperidin-1-ium-1-yl)ethyl benzoate chloride Traditional Name: benzoic acid 2-(3-methylpiperidin-1-ium-1-yl)ethyl ester chloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H21NO2.ClH/c1-13-6-5-9-16(12-13)10-11-18-15(17)14-7-3-2-4-8-14;/h2-4,7-8,13H,5-6,9-12H2,1H3;1H