2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide

Systemtic Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(3-butyl-1-benzimidazol-1-iumyl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C19H20BrClN2O MolecularWeight: 407.7319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN2O.BrH/c1-2-3-12-21-14-22(18-7-5-4-6-17(18)21)13-19(23)15-8-10-16(20)11-9-15;/h4-11,14H,2-3,12-13H2,1H3;1H/q+1;/p-1