3,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3,4-dihydroxy-4-oxo-butanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3,4-dihydroxy-4-oxobutanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3,4-dihydroxy-4-oxobutanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3,4-dihydroxy-4-keto-butyrate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=CC=CC(=[N+]2C1=O)C)C.C(C(C(=O)O)O)C(=O)[O-]

Isomeric SMILES

CCC1=C(NC2=CC=CC(=[N+]2C1=O)C)C.C(C(C(=O)O)O)C(=O)[O-]

InChI

InChI=1S/C12H14N2O.C4H6O5/c1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15;5-2(4(8)9)1-3(6)7/h5-7H,4H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)