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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H21N2O4+ MolecularWeight: 365.40244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)C

InChI

InChI=1S/C21H20N2O4/c1-14-6-7-16(11-15(14)2)18(24)8-9-21(26)27-13-17-12-20(25)23-10-4-3-5-19(23)22-17/h3-7,10-12H,8-9,13H2,1-2H3/p+1