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

Systemtic Name: 2-[2-methyl-3-[(2-methylsulfanylpyridin-3-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol Openeye Name: 2-[2-methyl-3-[(2-methylsulfanyl-3-pyridyl)methyl]thiazol-3-ium-5-yl]ethanol CAS Name: 2-[2-methyl-3-[[2-(methylthio)-3-pyridinyl]methyl]-5-thiazol-3-iumyl]ethanol IUPAC Name: 2-[2-methyl-3-[(2-methylsulfanylpyridin-3-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol Traditional Name: 2-[2-methyl-3-[[2-(methylthio)-3-pyridyl]methyl]thiazol-3-ium-5-yl]ethanol Formula: C13H17N2OS2+ MolecularWeight: 281.41688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2OS2/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/q+1