2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(5-bromo-2-thiophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone bromide Formula: C14H13Br2N3OS MolecularWeight: 431.14552

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(S3)Br)N.[Br-]

InChI

InChI=1S/C14H12BrN3OS.BrH/c1-17-9-4-2-3-5-10(9)18(14(17)16)8-11(19)12-6-7-13(15)20-12;/h2-7,16H,8H2,1H3;1H