1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H18N3O3.BrH/c24-19(16-8-4-9-17(12-16)23(25)26)14-21-13-18(15-6-2-1-3-7-15)22-11-5-10-20(21)22;/h1-4,6-9,12-13H,5,10-11,14H2;1H/q+1;/p-1