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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C15H15BrN3O2S+ MolecularWeight: 381.2675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O2S/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)/p+1