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

Systemtic Name: 1-(4-fluorophenyl)-2-[3-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-fluorophenyl)-2-[3-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-fluorophenyl)-2-[3-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-fluorophenyl)-2-[3-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-fluorophenyl)-2-[3-(4-nitrophenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]ethanone bromide Formula: C20H17BrFN3O3 MolecularWeight: 446.269683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN3O3.BrH/c21-16-7-3-15(4-8-16)19(25)13-22-12-18(23-11-1-2-20(22)23)14-5-9-17(10-6-14)24(26)27;/h3-10,12H,1-2,11,13H2;1H/q+1;/p-1