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

Systemtic Name: 1-(4-cyclohexylphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-cyclohexylphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-cyclohexylphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(4-cyclohexylphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-cyclohexylphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Formula: C26H29BrN2O MolecularWeight: 465.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[N+]3=C4CCCN4C(=C3)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[N+]3=C4CCCN4C(=C3)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H29N2O.BrH/c29-25(23-15-13-21(14-16-23)20-8-3-1-4-9-20)19-27-18-24(22-10-5-2-6-11-22)28-17-7-12-26(27)28;/h2,5-6,10-11,13-16,18,20H,1,3-4,7-9,12,17,19H2;1H/q+1;/p-1