2-isoquinolin-2-ium-2-yl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-isoquinolin-2-ium-2-yl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 4-hydroxy-2-isoquinolin-2-ium-2-yl-4-oxo-butanoate CAS Name: 4-hydroxy-2-(2-isoquinolin-2-iumyl)-4-oxobutanoate IUPAC Name: 4-hydroxy-2-isoquinolin-2-ium-2-yl-4-oxobutanoate Traditional Name: 4-hydroxy-2-isoquinolin-2-ium-2-yl-4-keto-butyrate Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C(CC(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C13H11NO4/c15-12(16)7-11(13(17)18)14-6-5-9-3-1-2-4-10(9)8-14/h1-6,8,11H,7H2,(H-,15,16,17,18)