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

Systemtic Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O.C4H4O4/c1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15;5-3(6)1-2-4(7)8/h5-7H,4H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+