[3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride

Systemtic Name: [3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride Openeye Name: [1,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride CAS Name: benzoic acid [3-methyl-4-(4-methyl-1-piperidin-1-iumyl)butan-2-yl] ester chloride IUPAC Name: [3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride Traditional Name: benzoic acid [1,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)C(C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC1)CC(C)C(C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-14-9-11-19(12-10-14)13-15(2)16(3)21-18(20)17-7-5-4-6-8-17;/h4-8,14-16H,9-13H2,1-3H3;1H