3-methylsulfonylsulfanylpropyl-tri(propan-2-yl)azanium bromide

Systemtic Name: 3-methylsulfonylsulfanylpropyl-tri(propan-2-yl)azanium bromide Openeye Name: triisopropyl(3-methylsulfonylsulfanylpropyl)ammonium bromide CAS Name: 3-(methylsulfonylthio)propyl-tri(propan-2-yl)ammonium bromide IUPAC Name: 3-methylsulfonylsulfanylpropyl-tri(propan-2-yl)azanium bromide Traditional Name: triisopropyl-[3-(mesylthio)propyl]ammonium bromide Formula: C13H30BrNO2S2 MolecularWeight: 376.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](CCCSS(=O)(=O)C)(C(C)C)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](CCCSS(=O)(=O)C)(C(C)C)C(C)C.[Br-]

InChI

InChI=1S/C13H30NO2S2.BrH/c1-11(2)14(12(3)4,13(5)6)9-8-10-17-18(7,15)16;/h11-13H,8-10H2,1-7H3;1H/q+1;/p-1