methyl 3-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[(4-benzoylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-benzoyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzoylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-benzoylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C21H18NO3+ MolecularWeight: 332.37252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18NO3/c1-25-21(24)19-9-5-6-16(14-19)15-22-12-10-18(11-13-22)20(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3/q+1