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2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide

2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide

Systemtic Name:2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide
Openeye Name:2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide
CAS Name:2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide
IUPAC Name:2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide
Traditional Name:2-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol iodide
Formula: C12H16INOS
MolecularWeight: 349.23101
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=[N+]2CCO)C.[I-]


Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=[N+]2CCO)C.[I-]


InChI

InChI=1S/C12H16NOS.HI/c1-8-6-11-12(7-9(8)2)15-10(3)13(11)4-5-14;/h6-7,14H,4-5H2,1-3H3;1H/q+1;/p-1


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