2-(4-fluoranyl-2-methylsulfanyl-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Systemtic Name: 2-(4-fluoranyl-2-methylsulfanyl-phenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Openeye Name: 2-(4-fluoro-2-methylsulfanyl-phenyl)-3,4,4-trimethyl-5H-oxazol-3-ium iodide CAS Name: 2-[4-fluoro-2-(methylthio)phenyl]-3,4,4-trimethyl-5H-oxazol-3-ium iodide IUPAC Name: 2-(4-fluoro-2-methylsulfanylphenyl)-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Traditional Name: 2-[4-fluoro-2-(methylthio)phenyl]-3,4,4-trimethyl-2-oxazolin-3-ium iodide Formula: C13H17FINOS MolecularWeight: 381.248053

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=[N+]1C)C2=C(C=C(C=C2)F)SC)C.[I-]

Isomeric SMILES

CC1(COC(=[N+]1C)C2=C(C=C(C=C2)F)SC)C.[I-]

InChI

InChI=1S/C13H17FNOS.HI/c1-13(2)8-16-12(15(13)3)10-6-5-9(14)7-11(10)17-4;/h5-7H,8H2,1-4H3;1H/q+1;/p-1