1-(5-bromanylthiophen-2-yl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide CAS Name: 1-(5-bromo-2-thiophenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide Formula: C20H16Br2N2OS MolecularWeight: 492.22684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=C(S4)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=C(S4)Br.[Br-]

InChI

InChI=1S/C20H16BrN2OS.BrH/c21-20-11-10-19(25-20)18(24)13-23-14-22(12-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23;/h1-11,14H,12-13H2;1H/q+1;/p-1