1-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[3-(2,4,6-trimethylphenyl)-1-imidazol-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide Traditional Name: 2-(3-mesitylimidazol-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C20H21BrN2O MolecularWeight: 385.29754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H21N2O.BrH/c1-15-11-16(2)20(17(3)12-15)22-10-9-21(14-22)13-19(23)18-7-5-4-6-8-18;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1