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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic 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-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H19N2O4+ MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c1-14-7-9-18-21-16(11-19(24)22(18)12-14)13-26-20(25)10-8-17(23)15-5-3-2-4-6-15/h2-7,9,11-12H,8,10,13H2,1H3/p+1