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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

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