[(4-methylphenyl)-pyridin-1-ium-1-yl-methyl] benzoate chloride

Systemtic Name: [(4-methylphenyl)-pyridin-1-ium-1-yl-methyl] benzoate chloride Openeye Name: [p-tolyl(pyridin-1-ium-1-yl)methyl] benzoate chloride CAS Name: benzoic acid [(4-methylphenyl)-(1-pyridin-1-iumyl)methyl] ester chloride IUPAC Name: [(4-methylphenyl)-pyridin-1-ium-1-ylmethyl] benzoate chloride Traditional Name: benzoic acid [p-tolyl(pyridin-1-ium-1-yl)methyl] ester chloride Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H18NO2.ClH/c1-16-10-12-17(13-11-16)19(21-14-6-3-7-15-21)23-20(22)18-8-4-2-5-9-18;/h2-15,19H,1H3;1H/q+1;/p-1