1-(5-bromanylthiophen-2-yl)-2-(3-butylbenzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(3-butylbenzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(5-bromo-2-thienyl)-2-(3-butylbenzimidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(5-bromo-2-thiophenyl)-2-(3-butyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(3-butylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(5-bromo-2-thienyl)-2-(3-butylbenzimidazol-1-ium-1-yl)ethanone bromide Formula: C17H18Br2N2OS MolecularWeight: 458.21062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br.[Br-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br.[Br-]

InChI

InChI=1S/C17H18BrN2OS.BrH/c1-2-3-10-19-12-20(14-7-5-4-6-13(14)19)11-15(21)16-8-9-17(18)22-16;/h4-9,12H,2-3,10-11H2,1H3;1H/q+1;/p-1