[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride

Systemtic Name: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride Openeye Name: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride CAS Name: benzoic acid [2,2-dimethyl-3-(4-methyl-1-piperidin-1-iumyl)propyl] ester chloride IUPAC Name: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride Traditional Name: benzoic acid [2,2-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)COC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

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

InChI

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