1-(azepan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(azepan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(azepan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(1-azepanyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(azepan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(azepan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide Formula: C13H21BrN2OS MolecularWeight: 333.28764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCCCCC2)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCCCCC2)C.[Br-]

InChI

InChI=1S/C13H21N2OS.BrH/c1-11-12(2)17-10-15(11)9-13(16)14-7-5-3-4-6-8-14;/h10H,3-9H2,1-2H3;1H/q+1;/p-1