1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethyl-1-benzimidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone bromide Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)C(C)(C)C)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C21H25N2O.BrH/c1-15-22(5)18-8-6-7-9-19(18)23(15)14-20(24)16-10-12-17(13-11-16)21(2,3)4;/h6-13H,14H2,1-5H3;1H/q+1;/p-1