(1-methylpiperidin-1-ium-3-yl) 2-methylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-methylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-methylbenzoate chloride CAS Name: 2-methylbenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-methylbenzoate chloride Traditional Name: 2-methylbenzoic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2CCC[NH+](C2)C.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2CCC[NH+](C2)C.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c1-11-6-3-4-8-13(11)14(16)17-12-7-5-9-15(2)10-12;/h3-4,6,8,12H,5,7,9-10H2,1-2H3;1H