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

Systemtic Name: (E)-but-2-enedioate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: (E)-but-2-enedioate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: (E)-2-butenedioate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: (E)-but-2-enedioate; 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-ethyl-2,6-dimethyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one fumarate Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C12H14N2O.C4H4O4/c2*1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15;5-3(6)1-2-4(7)8/h2*5-7H,4H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+