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

Systemtic Name: 1-(4-methoxyphenyl)-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[3-(2,4,6-trimethylphenyl)-1-imidazol-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanone bromide Traditional Name: 2-(3-mesitylimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2O2.BrH/c1-15-11-16(2)21(17(3)12-15)23-10-9-22(14-23)13-20(24)18-5-7-19(25-4)8-6-18;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1