(1-methylpiperidin-1-ium-3-yl) 4-methylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 4-methylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 4-methylbenzoate chloride CAS Name: 4-methylbenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 4-methylbenzoate chloride Traditional Name: 4-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=C(C=C1)C(=O)OC2CCC[NH+](C2)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCC[NH+](C2)C.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c1-11-5-7-12(8-6-11)14(16)17-13-4-3-9-15(2)10-13;/h5-8,13H,3-4,9-10H2,1-2H3;1H