methyl 5-oxidanylidene-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate bromide

Systemtic Name: methyl 5-oxidanylidene-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate bromide Openeye Name: methyl 5-oxo-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate bromide CAS Name: 5-oxo-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylic acid methyl ester bromide IUPAC Name: methyl 5-oxo-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate bromide Traditional Name: 5-keto-2-phenacyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylic acid methyl ester bromide Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C[N+](=CN2C(=O)N1)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC(=O)C1CC2=C[N+](=CN2C(=O)N1)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H15N3O4.BrH/c1-23-15(21)13-7-12-8-18(10-19(12)16(22)17-13)9-14(20)11-5-3-2-4-6-11;/h2-6,8,10,13H,7,9H2,1H3;1H