(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-phenylethanoylamino)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-phenylethanoylamino)benzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H19BrN3O4+ MolecularWeight: 493.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C24H18BrN3O4/c25-17-10-11-21-26-18(13-23(30)28(21)14-17)15-32-24(31)19-8-4-5-9-20(19)27-22(29)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,27,29,31)/p+1