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

Systemtic Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(3-butyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C19H19BrCl2N2O MolecularWeight: 442.17696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N2O.BrH/c1-2-3-10-22-13-23(18-7-5-4-6-17(18)22)12-19(24)14-8-9-15(20)16(21)11-14;/h4-9,11,13H,2-3,10,12H2,1H3;1H/q+1;/p-1