2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-butyl-3-methyl-1-benzimidazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(2-butyl-3-methylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2-butyl-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:

CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H23N2O.BrH/c1-3-4-14-20-21(2)17-12-8-9-13-18(17)22(20)15-19(23)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H/q+1;/p-1