trimethyl-[2-(phenylcarbonylsulfanyloxy)ethyl]azanium iodide

Systemtic Name: trimethyl-[2-(phenylcarbonylsulfanyloxy)ethyl]azanium iodide Openeye Name: 2-benzoylsulfanyloxyethyl(trimethyl)ammonium iodide CAS Name: 2-(benzoylthio)oxyethyl-trimethylammonium iodide IUPAC Name: 2-benzoylsulfanyloxyethyl(trimethyl)azanium iodide Traditional Name: 2-(benzoylthio)oxyethyl-trimethyl-ammonium iodide Formula: C12H18INO2S MolecularWeight: 367.24629

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOSC(=O)C1=CC=CC=C1.[I-]

Isomeric SMILES

C[N+](C)(C)CCOSC(=O)C1=CC=CC=C1.[I-]

InChI

InChI=1S/C12H18NO2S.HI/c1-13(2,3)9-10-15-16-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1