1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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