1-(azocan-1-yl)-2-(4,5-didecyl-1,3-thiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(azocan-1-yl)-2-(4,5-didecyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(azocan-1-yl)-2-(4,5-didecylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(1-azocanyl)-2-(4,5-didecyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(azocan-1-yl)-2-(4,5-didecyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(azocan-1-yl)-2-(4,5-didecylthiazol-3-ium-3-yl)ethanone bromide Formula: C32H59BrN2OS MolecularWeight: 599.79266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCCCC2)CCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCCCC2)CCCCCCCCCC.[Br-]

InChI

InChI=1S/C32H59N2OS.BrH/c1-3-5-7-9-11-13-16-20-24-30-31(25-21-17-14-12-10-8-6-4-2)36-29-34(30)28-32(35)33-26-22-18-15-19-23-27-33;/h29H,3-28H2,1-2H3;1H/q+1;/p-1