ethyl 4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H21N4O4+ MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=[N+](C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=[N+](C2=O)C=C(C=C3)C

InChI

InChI=1S/C17H20N4O4/c1-3-25-17(24)20-8-6-19(7-9-20)15(22)13-10-18-14-5-4-12(2)11-21(14)16(13)23/h4-5,10-11H,3,6-9H2,1-2H3/p+1