N-(4-bromanyl-2,6-dimethyl-phenyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C17H15BrN3O2+ MolecularWeight: 373.2239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C)Br

InChI

InChI=1S/C17H14BrN3O2/c1-10-7-12(18)8-11(2)15(10)20-16(22)13-9-19-14-5-3-4-6-21(14)17(13)23/h3-9H,1-2H3,(H,20,22)/p+1