2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide

Systemtic Name: 2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Openeye Name: 2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide CAS Name: 2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide IUPAC Name: 2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Traditional Name: 2-(2,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Formula: C11H14BrNOS MolecularWeight: 288.20396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(S2)C)CCO.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C)CCO.[Br-]

InChI

InChI=1S/C11H14NOS.BrH/c1-8-3-4-10-11(7-8)14-9(2)12(10)5-6-13;/h3-4,7,13H,5-6H2,1-2H3;1H/q+1;/p-1