6-methylsulfonylsulfanylhexyl-tri(propan-2-yl)azanium bromide

Systemtic Name: 6-methylsulfonylsulfanylhexyl-tri(propan-2-yl)azanium bromide Openeye Name: triisopropyl(6-methylsulfonylsulfanylhexyl)ammonium bromide CAS Name: 6-(methylsulfonylthio)hexyl-tri(propan-2-yl)ammonium bromide IUPAC Name: 6-methylsulfonylsulfanylhexyl-tri(propan-2-yl)azanium bromide Traditional Name: triisopropyl-[6-(mesylthio)hexyl]ammonium bromide Formula: C16H36BrNO2S2 MolecularWeight: 418.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36NO2S2.BrH/c1-14(2)17(15(3)4,16(5)6)12-10-8-9-11-13-20-21(7,18)19;/h14-16H,8-13H2,1-7H3;1H/q+1;/p-1