2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide

Systemtic Name: 2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide Openeye Name: 2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide CAS Name: 2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide IUPAC Name: 2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide Traditional Name: 2-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide Formula: C11H14INOS MolecularWeight: 335.20443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=[N+]2CCO)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=[N+]2CCO)C.[I-]

InChI

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