2-(2-oxidanyl-3-oxidanylidene-6,7-dihydro-1H-isoindol-2-ium-2-yl)butanoic acid

Systemtic Name: 2-(2-oxidanyl-3-oxidanylidene-6,7-dihydro-1H-isoindol-2-ium-2-yl)butanoic acid Openeye Name: 2-(2-hydroxy-3-oxo-6,7-dihydro-1H-isoindol-2-ium-2-yl)butanoic acid CAS Name: 2-(2-hydroxy-3-oxo-6,7-dihydro-1H-isoindol-2-ium-2-yl)butanoic acid IUPAC Name: 2-(2-hydroxy-3-oxo-6,7-dihydro-1H-isoindol-2-ium-2-yl)butanoic acid Traditional Name: 2-(2-hydroxy-3-keto-6,7-dihydro-1H-isoindol-2-ium-2-yl)butyric acid Formula: C12H16NO4+ MolecularWeight: 238.25974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(CC2=C(C1=O)C=CCC2)O

Isomeric SMILES

CCC(C(=O)O)[N+]1(CC2=C(C1=O)C=CCC2)O

InChI

InChI=1S/C12H15NO4/c1-2-10(12(15)16)13(17)7-8-5-3-4-6-9(8)11(13)14/h4,6,10,17H,2-3,5,7H2,1H3/p+1