3,3-dimethyl-1-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[3-methyl-2-(4-methylphenyl)-1-benzimidazol-3-iumyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[3-methyl-2-(4-methylphenyl)benzimidazol-3-ium-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[3-methyl-2-(p-tolyl)benzimidazol-3-ium-1-yl]butan-2-one Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2CC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2CC(=O)C(C)(C)C)C

InChI

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