(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-phenylphenyl)ethanoate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-phenylphenyl)ethanoate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-phenylphenyl)acetate CAS Name: 2-(4-phenylphenyl)acetic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-phenylphenyl)acetate Traditional Name: 2-(4-phenylphenyl)acetic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H21N2O3+ MolecularWeight: 385.43514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3/c1-17-6-5-13-26-22(27)15-21(25-24(17)26)16-29-23(28)14-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-13,15H,14,16H2,1H3/p+1