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

Systemtic Name: 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Openeye Name: 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide CAS Name: 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide IUPAC Name: 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Traditional Name: 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Formula: C11H14BrNO2S MolecularWeight: 304.20336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CCO.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)OC)CCO.[Br-]

InChI

InChI=1S/C11H14NO2S.BrH/c1-8-12(5-6-13)10-4-3-9(14-2)7-11(10)15-8;/h3-4,7,13H,5-6H2,1-2H3;1H/q+1;/p-1