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

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Openeye Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide IUPAC Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide Formula: C10H12BrNOS MolecularWeight: 274.17738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCO.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCO.[Br-]

InChI

InChI=1S/C10H12NOS.BrH/c1-8-11(6-7-12)9-4-2-3-5-10(9)13-8;/h2-5,12H,6-7H2,1H3;1H/q+1;/p-1