[3-(2-methylsulfanylphenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium chloride

Systemtic Name: [3-(2-methylsulfanylphenoxy)-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [2-hydroxy-3-(2-methylsulfanylphenoxy)propyl]-isopropyl-ammonium chloride CAS Name: [2-hydroxy-3-[2-(methylthio)phenoxy]propyl]-propan-2-ylammonium chloride IUPAC Name: [2-hydroxy-3-(2-methylsulfanylphenoxy)propyl]-propan-2-ylazanium chloride Traditional Name: [2-hydroxy-3-[2-(methylthio)phenoxy]propyl]-isopropyl-ammonium chloride Formula: C13H22ClNO2S MolecularWeight: 291.83728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=CC=C1SC)O.[Cl-]

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC=CC=C1SC)O.[Cl-]

InChI

InChI=1S/C13H21NO2S.ClH/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3;/h4-7,10-11,14-15H,8-9H2,1-3H3;1H