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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C16H17BrN3O2S+ MolecularWeight: 395.29408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O2S/c17-15-7-6-14(23-15)13(22)10-20-12-5-2-1-4-11(12)19-16(20)18-8-3-9-21/h1-2,4-7,21H,3,8-10H2,(H,18,19)/p+1