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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide CAS Name: 1-(5-bromo-2-thiophenyl)-2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide Formula: C16H14Br2N2OS MolecularWeight: 442.16816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br.[Br-]

Isomeric SMILES

C=CCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br.[Br-]

InChI

InChI=1S/C16H14BrN2OS.BrH/c1-2-9-18-11-19(13-6-4-3-5-12(13)18)10-14(20)15-7-8-16(17)21-15;/h2-8,11H,1,9-10H2;1H/q+1;/p-1