2-[2-methyl-3-[(2-methylsulfanylpyridin-3-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol chloride

Systemtic Name: 2-[2-methyl-3-[(2-methylsulfanylpyridin-3-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol chloride Openeye Name: 2-[2-methyl-3-[(2-methylsulfanyl-3-pyridyl)methyl]thiazol-3-ium-5-yl]ethanol chloride CAS Name: 2-[2-methyl-3-[[2-(methylthio)-3-pyridinyl]methyl]-5-thiazol-3-iumyl]ethanol chloride IUPAC Name: 2-[2-methyl-3-[(2-methylsulfanylpyridin-3-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol chloride Traditional Name: 2-[2-methyl-3-[[2-(methylthio)-3-pyridyl]methyl]thiazol-3-ium-5-yl]ethanol chloride Formula: C13H17ClN2OS2 MolecularWeight: 316.86988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(S1)CCO)CC2=C(N=CC=C2)SC.[Cl-]

Isomeric SMILES

CC1=[N+](C=C(S1)CCO)CC2=C(N=CC=C2)SC.[Cl-]

InChI

InChI=1S/C13H17N2OS2.ClH/c1-10-15(9-12(18-10)5-7-16)8-11-4-3-6-14-13(11)17-2;/h3-4,6,9,16H,5,7-8H2,1-2H3;1H/q+1;/p-1