ethyl 4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24N4O3+2 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)[N+]3=CC=CC(=C3N2)C

InChI

InChI=1S/C17H22N4O3/c1-3-24-17(23)20-9-7-19(8-10-20)12-14-11-15(22)21-6-4-5-13(2)16(21)18-14/h4-6,11H,3,7-10,12H2,1-2H3/p+2