(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H23N4O4+ MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-16-7-8-20-24-18(13-22(29)26(20)14-16)15-31-23(30)10-9-21(28)27-12-11-19(25-27)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/p+1