methyl 2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-(4-benzoylpyridin-1-ium-1-yl)acetate CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-benzoylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)acetic acid methyl ester Formula: C15H14NO3+ MolecularWeight: 256.27656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14NO3/c1-19-14(17)11-16-9-7-13(8-10-16)15(18)12-5-3-2-4-6-12/h2-10H,11H2,1H3/q+1