2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide

Systemtic Name: 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Openeye Name: 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide CAS Name: 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide IUPAC Name: 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Traditional Name: 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Formula: C12H16BrNO2S MolecularWeight: 318.22994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)SC(=[N+]2CCO)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1OC)SC(=[N+]2CCO)C.[Br-]

InChI

InChI=1S/C12H16NO2S.BrH/c1-8-6-10-12(7-11(8)15-3)16-9(2)13(10)4-5-14;/h6-7,14H,4-5H2,1-3H3;1H/q+1;/p-1