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Substance Name: 1-Propanaminium, 3-(decylthio)-2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
RN: 3663-99-8
InChIKey: KZNJUWRBNCQTPW-UHFFFAOYSA-M

Molecular Formula

  • C16-H36-N-O-S.C7-H7-O3-S

Molecular Weight

  • 461.728
 
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Names and Synonyms

Synonym

  • EINECS 222-924-5

Systematic Names

  • (3-(Decylthio)-2-hydroxypropyl)trimethylammonium p-toluenesulphonate
  • 1-Propanaminium, 3-(decylthio)-2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
  • 1-Propanaminium, 3-(decylthio)-2-hydroxy-N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 3663-99-8

System Generated Number

  • 0003663998

Molecular Formulas

Molecular Formula

  • C16-H36-N-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C16-H36-N-O-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

KZNJUWRBNCQTPW-UHFFFAOYSA-M

Smiles

CCCCCCCCCCSC[C@@H](O)C[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]