[1-methyl-6-(phenylcarbonyloxymethyl)pyridin-1-ium-2-yl]methyl benzoate

Systemtic Name: [1-methyl-6-(phenylcarbonyloxymethyl)pyridin-1-ium-2-yl]methyl benzoate Openeye Name: [6-(benzoyloxymethyl)-1-methyl-pyridin-1-ium-2-yl]methyl benzoate CAS Name: benzoic acid [6-(benzoyloxymethyl)-1-methyl-2-pyridin-1-iumyl]methyl ester IUPAC Name: [6-(benzoyloxymethyl)-1-methylpyridin-1-ium-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(benzoyloxymethyl)-1-methyl-pyridin-1-ium-2-yl]methyl ester Formula: C22H20NO4+ MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(C=CC=C1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20NO4/c1-23-19(15-26-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-27-22(25)18-11-6-3-7-12-18/h2-14H,15-16H2,1H3/q+1