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

Systemtic Name: 1-(3-methylpiperidin-1-ium-1-yl)propan-2-yl benzoate chloride Openeye Name: [1-methyl-2-(3-methylpiperidin-1-ium-1-yl)ethyl] benzoate chloride CAS Name: benzoic acid 1-(3-methyl-1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-(3-methylpiperidin-1-ium-1-yl)propan-2-yl benzoate chloride Traditional Name: benzoic acid [1-methyl-2-(3-methylpiperidin-1-ium-1-yl)ethyl] ester chloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2.ClH/c1-13-7-6-10-17(11-13)12-14(2)19-16(18)15-8-4-3-5-9-15;/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3;1H