2-octyl-1,2-thiazol-2-ium-3-ol bromide

Systemtic Name: 2-octyl-1,2-thiazol-2-ium-3-ol bromide Openeye Name: 2-octylisothiazol-2-ium-3-ol bromide CAS Name: 2-octyl-3-isothiazol-2-iumol bromide IUPAC Name: 2-octyl-1,2-thiazol-2-ium-3-ol bromide Traditional Name: 2-octylisothiazol-2-ium-3-ol bromide Formula: C11H20BrNOS MolecularWeight: 294.2516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(C=CS1)O.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=C(C=CS1)O.[Br-]

InChI

InChI=1S/C11H19NOS.BrH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;/h8,10H,2-7,9H2,1H3;1H