1-(4-tert-butylphenyl)-2-(2-methyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-(2-methyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-allyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(2-methyl-3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(2-methyl-3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 2-(3-allyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide Formula: C23H27BrN2O MolecularWeight: 427.37728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O.BrH/c1-6-15-24-17(2)25(21-10-8-7-9-20(21)24)16-22(26)18-11-13-19(14-12-18)23(3,4)5;/h6-14H,1,15-16H2,2-5H3;1H/q+1;/p-1