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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethyl-1-benzimidazol-3-iumyl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)ethanone Formula: C21H25N2O+ MolecularWeight: 321.436

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O/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/q+1