2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-phenyl-ethanol

Systemtic Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-phenyl-ethanol Openeye Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-phenyl-ethanol CAS Name: 2-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]-1-phenylethanol IUPAC Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-phenylethanol Traditional Name: 2-[(1,3-dimethylimidazol-1-ium-2-yl)thio]-1-phenyl-ethanol Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCC(C2=CC=CC=C2)O)C

Isomeric SMILES

CN1C=C[N+](=C1SCC(C2=CC=CC=C2)O)C

InChI

InChI=1S/C13H17N2OS/c1-14-8-9-15(2)13(14)17-10-12(16)11-6-4-3-5-7-11/h3-9,12,16H,10H2,1-2H3/q+1