4-oxidanyl-4-oxidanylidene-2-pyridin-1-ium-1-yl-butanoate

Systemtic Name: 4-oxidanyl-4-oxidanylidene-2-pyridin-1-ium-1-yl-butanoate Openeye Name: 4-hydroxy-4-oxo-2-pyridin-1-ium-1-yl-butanoate CAS Name: 4-hydroxy-4-oxo-2-(1-pyridin-1-iumyl)butanoate IUPAC Name: 4-hydroxy-4-oxo-2-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-hydroxy-4-keto-2-pyridin-1-ium-1-yl-butyrate Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4/c11-8(12)6-7(9(13)14)10-4-2-1-3-5-10/h1-5,7H,6H2,(H-,11,12,13,14)