4,6-dimethyl-3-(phenylmethyl)-1-(2,4,6-trimethylphenyl)benzimidazol-3-ium bromide

Systemtic Name: 4,6-dimethyl-3-(phenylmethyl)-1-(2,4,6-trimethylphenyl)benzimidazol-3-ium bromide Openeye Name: 3-benzyl-4,6-dimethyl-1-(2,4,6-trimethylphenyl)benzimidazol-3-ium bromide CAS Name: 4,6-dimethyl-3-(phenylmethyl)-1-(2,4,6-trimethylphenyl)benzimidazol-3-ium bromide IUPAC Name: 3-benzyl-4,6-dimethyl-1-(2,4,6-trimethylphenyl)benzimidazol-3-ium bromide Traditional Name: 3-benzyl-1-mesityl-4,6-dimethyl-benzimidazol-3-ium bromide Formula: C25H27BrN2 MolecularWeight: 435.39928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=[N+](C3=C(C=C(C=C32)C)C)CC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=[N+](C3=C(C=C(C=C32)C)C)CC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C25H27N2.BrH/c1-17-11-19(3)24(20(4)12-17)27-16-26(15-22-9-7-6-8-10-22)25-21(5)13-18(2)14-23(25)27;/h6-14,16H,15H2,1-5H3;1H/q+1;/p-1