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

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(2-furyl)ethanone bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(2-furanyl)ethanone bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(furan-2-yl)ethanone bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(2-furyl)ethanone bromide Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N.[Br-]

InChI

InChI=1S/C20H17N3O2.BrH/c21-20-22(13-15-7-2-1-3-8-15)16-9-4-5-10-17(16)23(20)14-18(24)19-11-6-12-25-19;/h1-12,21H,13-14H2;1H