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

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-carboxy-3,5-dihydroxy-5-keto-valerate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H22N2O8 MolecularWeight: 394.37588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O.C6H8O7/c1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7H,4H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)