1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide Openeye Name: 1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide CAS Name: 1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide IUPAC Name: 1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide Traditional Name: 1-phenyl-2-(1-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone bromide Formula: C21H19BrN2O MolecularWeight: 395.29236

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(C2=CC=CN21)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[N+](=C(C2=CC=CN21)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H19N2O.BrH/c24-20(17-8-3-1-4-9-17)16-23-15-14-22-13-7-12-19(22)21(23)18-10-5-2-6-11-18;/h1-13H,14-16H2;1H/q+1;/p-1