methyl 2-(2-pyridin-1-ium-1-ylethanoyl)pyridine-4-carboxylate

Systemtic Name: methyl 2-(2-pyridin-1-ium-1-ylethanoyl)pyridine-4-carboxylate Openeye Name: methyl 2-(2-pyridin-1-ium-1-ylacetyl)pyridine-4-carboxylate CAS Name: 2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-pyridin-1-ium-1-ylacetyl)pyridine-4-carboxylate Traditional Name: 2-(2-pyridin-1-ium-1-ylacetyl)isonicotinic acid methyl ester Formula: C14H13N2O3+ MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N2O3/c1-19-14(18)11-5-6-15-12(9-11)13(17)10-16-7-3-2-4-8-16/h2-9H,10H2,1H3/q+1