2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C17H19N3OS.BrH/c1-2-3-10-19-13-7-4-5-8-14(13)20(17(19)18)12-15(21)16-9-6-11-22-16;/h4-9,11,18H,2-3,10,12H2,1H3;1H