2-[3-methyl-2-(2-methylpropyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[3-methyl-2-(2-methylpropyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-(2-isobutyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-[3-methyl-2-(2-methylpropyl)-1-benzimidazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[3-methyl-2-(2-methylpropyl)benzimidazol-3-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-(2-isobutyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C20H23BrN2O MolecularWeight: 387.31342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N2O.BrH/c1-15(2)13-20-21(3)17-11-7-8-12-18(17)22(20)14-19(23)16-9-5-4-6-10-16;/h4-12,15H,13-14H2,1-3H3;1H/q+1;/p-1