(1-methylpiperidin-1-ium-4-yl) benzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) benzoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) benzoate chloride CAS Name: benzoic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) benzoate chloride Traditional Name: benzoic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H17NO2.ClH/c1-14-9-7-12(8-10-14)16-13(15)11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H