2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)-1-pyridin-2-yl-ethanone bromide

Systemtic Name: 2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)-1-pyridin-2-yl-ethanone bromide Openeye Name: 2-(4,5-dioctylthiazol-3-ium-3-yl)-1-(2-pyridyl)ethanone bromide CAS Name: 2-(4,5-dioctyl-3-thiazol-3-iumyl)-1-(2-pyridinyl)ethanone bromide IUPAC Name: 2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)-1-pyridin-2-ylethanone bromide Traditional Name: 2-(4,5-dioctylthiazol-3-ium-3-yl)-1-(2-pyridyl)ethanone bromide Formula: C26H41BrN2OS MolecularWeight: 509.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC=[N+]1CC(=O)C2=CC=CC=N2)CCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCC1=C(SC=[N+]1CC(=O)C2=CC=CC=N2)CCCCCCCC.[Br-]

InChI

InChI=1S/C26H41N2OS.BrH/c1-3-5-7-9-11-13-18-24-26(19-14-12-10-8-6-4-2)30-22-28(24)21-25(29)23-17-15-16-20-27-23;/h15-17,20,22H,3-14,18-19,21H2,1-2H3;1H/q+1;/p-1