methyl 2-pyridin-1-ium-3-ylquinoline-4-carboxylate

Systemtic Name: methyl 2-pyridin-1-ium-3-ylquinoline-4-carboxylate Openeye Name: methyl 2-pyridin-1-ium-3-ylquinoline-4-carboxylate CAS Name: 2-(3-pyridin-1-iumyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-pyridin-1-ium-3-ylquinoline-4-carboxylate Traditional Name: 2-pyridin-1-ium-3-ylcinchoninic acid methyl ester Formula: C16H13N2O2+ MolecularWeight: 265.28662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=NC2=CC=CC=C21)C3=C[NH+]=CC=C3

InChI

InChI=1S/C16H12N2O2/c1-20-16(19)13-9-15(11-5-4-8-17-10-11)18-14-7-3-2-6-12(13)14/h2-10H,1H3/p+1