1-[[(1-ethylpyridin-1-ium-3-yl)carbonylamino]methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[[(1-ethylpyridin-1-ium-3-yl)carbonylamino]methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[[(1-ethylpyridin-1-ium-3-carbonyl)amino]methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[[[(1-ethyl-3-pyridin-1-iumyl)-oxomethyl]amino]methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[[(1-ethylpyridin-1-ium-3-carbonyl)amino]methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-[[(1-ethylpyridin-1-ium-3-carbonyl)amino]methyl]-6-keto-nicotinic acid Formula: C15H16N3O4+ MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C(=O)NCN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C(=O)NCN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C15H15N3O4/c1-2-17-7-3-4-11(8-17)14(20)16-10-18-9-12(15(21)22)5-6-13(18)19/h3-9H,2,10H2,1H3,(H-,16,20,21,22)/p+1