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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]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-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C25H20BrN2O4+ MolecularWeight: 492.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C

InChI

InChI=1S/C25H19BrN2O4/c1-15-7-8-17(11-16(15)2)24(30)20-5-3-4-6-21(20)25(31)32-14-19-12-23(29)28-13-18(26)9-10-22(28)27-19/h3-13H,14H2,1-2H3/p+1