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Substance Name: 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octylthio)-, 4-methylbenzenesulfonate (1:1)
RN: 3901-30-2
InChIKey: CRBKLLKTJPRGAG-UHFFFAOYSA-M

Molecular Formula

  • C14-H32-N-O-S.C7-H7-O3-S

Molecular Weight

  • 433.674
 
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Names and Synonyms

Synonym

  • (2-Hydroxy-4-thiadodecyl)trimethylammonium p-toluenesulfonate

Systematic Names

  • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octylthio)-, 4-methylbenzenesulfonate (1:1)
  • 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 3901-30-2

System Generated Number

  • 0003901302

Molecular Formulas

Molecular Formula

  • C14-H32-N-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C14-H32-N-O-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H32NOS.C7H8O3S/c1-5-6-7-8-9-10-11-17-13-14(16)12-15(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h14,16H,5-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

CRBKLLKTJPRGAG-UHFFFAOYSA-M

Smiles

CCCCCCCCSC[C@@H](O)C[N+](C)(C)C.c1(ccc(cc1)S(=O)(=O)[O-])C