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

Systemtic Name: 2-(3-methyl-2-pentyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-methyl-2-pentyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-methyl-2-pentyl-1-benzimidazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3-methyl-2-pentylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C21H25N2O.BrH/c1-3-4-6-15-21-22(2)18-13-9-10-14-19(18)23(21)16-20(24)17-11-7-5-8-12-17;/h5,7-14H,3-4,6,15-16H2,1-2H3;1H/q+1;/p-1