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

Systemtic Name: 1-(3-methoxyphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)ethanone bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H21N2O2.BrH/c1-25-18-10-5-9-17(13-18)20(24)15-22-14-19(16-7-3-2-4-8-16)23-12-6-11-21(22)23;/h2-5,7-10,13-14H,6,11-12,15H2,1H3;1H/q+1;/p-1