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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(5-bromo-2-thienyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(5-bromo-2-thiophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(5-bromo-2-thienyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C15H15Br2N3O2S MolecularWeight: 461.1715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=C(S3)Br)NCCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=C(S3)Br)NCCO.[Br-]

InChI

InChI=1S/C15H14BrN3O2S.BrH/c16-14-6-5-13(22-14)12(21)9-19-11-4-2-1-3-10(11)18-15(19)17-7-8-20;/h1-6,20H,7-9H2,(H,17,18);1H