[1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] benzoate chloride

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] benzoate chloride Openeye Name: (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) benzoate chloride CAS Name: benzoic acid (3-benzoyl-1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) benzoate chloride Traditional Name: benzoic acid (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) ester chloride Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H21NO3.ClH/c1-21-14-8-13-20(15-21,18(22)16-9-4-2-5-10-16)24-19(23)17-11-6-3-7-12-17;/h2-7,9-12H,8,13-15H2,1H3;1H