1-(4-butylphenyl)-2-(2-chloranyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-butylphenyl)-2-(2-chloranyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-butylphenyl)-2-(2-chloro-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-butylphenyl)-2-(2-chloro-3-methyl-1-benzimidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-butylphenyl)-2-(2-chloro-3-methylbenzimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-butylphenyl)-2-(2-chloro-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Formula: C20H22BrClN2O MolecularWeight: 421.75848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2Cl)C.[Br-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2Cl)C.[Br-]

InChI

InChI=1S/C20H22ClN2O.BrH/c1-3-4-7-15-10-12-16(13-11-15)19(24)14-23-18-9-6-5-8-17(18)22(2)20(23)21;/h5-6,8-13H,3-4,7,14H2,1-2H3;1H/q+1;/p-1