1-(3-methoxycarbonylpyridin-2-yl)-2H-pyridin-1-ium-1-carboxylic acid

Systemtic Name: 1-(3-methoxycarbonylpyridin-2-yl)-2H-pyridin-1-ium-1-carboxylic acid Openeye Name: 1-(3-methoxycarbonyl-2-pyridyl)-2H-pyridin-1-ium-1-carboxylic acid CAS Name: 1-(3-methoxycarbonyl-2-pyridinyl)-2H-pyridin-1-ium-1-carboxylic acid IUPAC Name: 1-(3-methoxycarbonylpyridin-2-yl)-2H-pyridin-1-ium-1-carboxylic acid Traditional Name: 1-(3-carbomethoxy-2-pyridyl)-2H-pyridin-1-ium-1-carboxylic acid Formula: C13H13N2O4+ MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-19-12(16)10-6-5-7-14-11(10)15(13(17)18)8-3-2-4-9-15/h2-8H,9H2,1H3/p+1