2-(4,5-didodecyl-1,3-thiazol-3-ium-3-yl)-1-piperidin-1-yl-ethanone bromide

Systemtic Name: 2-(4,5-didodecyl-1,3-thiazol-3-ium-3-yl)-1-piperidin-1-yl-ethanone bromide Openeye Name: 2-(4,5-didodecylthiazol-3-ium-3-yl)-1-(1-piperidyl)ethanone bromide CAS Name: 2-(4,5-didodecyl-3-thiazol-3-iumyl)-1-(1-piperidinyl)ethanone bromide IUPAC Name: 2-(4,5-didodecyl-1,3-thiazol-3-ium-3-yl)-1-piperidin-1-ylethanone bromide Traditional Name: 2-(4,5-dilaurylthiazol-3-ium-3-yl)-1-piperidino-ethanone bromide Formula: C34H63BrN2OS MolecularWeight: 627.84582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCC2)CCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCC2)CCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C34H63N2OS.BrH/c1-3-5-7-9-11-13-15-17-19-22-26-32-33(27-23-20-18-16-14-12-10-8-6-4-2)38-31-36(32)30-34(37)35-28-24-21-25-29-35;/h31H,3-30H2,1-2H3;1H/q+1;/p-1