2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[5-(6-hydroxyhexyl)-4-methyl-3-thiazol-3-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[5-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone bromide Formula: C16H22BrNO2S2 MolecularWeight: 404.38538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCCCCCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCCCCCO.[Br-]

InChI

InChI=1S/C16H22NO2S2.BrH/c1-13-15(7-4-2-3-5-9-18)21-12-17(13)11-14(19)16-8-6-10-20-16;/h6,8,10,12,18H,2-5,7,9,11H2,1H3;1H/q+1;/p-1