3-ethanoyl-4-oxidanyl-1-(2-oxidanylpropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one

Systemtic Name: 3-ethanoyl-4-oxidanyl-1-(2-oxidanylpropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one Openeye Name: 3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one CAS Name: 3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-2-(3-pyridin-1-iumyl)-2H-pyrrol-5-one IUPAC Name: 3-acetyl-4-hydroxy-1-(2-hydroxypropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one Traditional Name: 4-acetyl-3-hydroxy-1-(2-hydroxypropyl)-5-pyridin-1-ium-3-yl-3-pyrrolin-2-one Formula: C14H17N2O4+ MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(C(=C(C1=O)O)C(=O)C)C2=C[NH+]=CC=C2)O

Isomeric SMILES

CC(CN1C(C(=C(C1=O)O)C(=O)C)C2=C[NH+]=CC=C2)O

InChI

InChI=1S/C14H16N2O4/c1-8(17)7-16-12(10-4-3-5-15-6-10)11(9(2)18)13(19)14(16)20/h3-6,8,12,17,19H,7H2,1-2H3/p+1