methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]benzoate

Systemtic Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoate CAS Name: 4-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoate Traditional Name: 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C16H16NO3+ MolecularWeight: 270.30314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H16NO3/c1-12-5-3-4-10-17(12)11-15(18)13-6-8-14(9-7-13)16(19)20-2/h3-10H,11H2,1-2H3/q+1