ethyl 4-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

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