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

Systemtic Name: 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C20H17BrN2OS MolecularWeight: 413.33078

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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=CS4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=CS4.[Br-]

InChI

InChI=1S/C20H17N2OS.BrH/c23-19(20-11-6-12-24-20)14-22-15-21(13-16-7-2-1-3-8-16)17-9-4-5-10-18(17)22;/h1-12,15H,13-14H2;1H/q+1;/p-1