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Substance Name: N,N'-Bis(2-hydroxyethyl)-N,N'-dimethyl-N-octadecyl-N'-(2-(stearoyloxy)ethyl)-N,N'-propane-1,3-diyldiammonium S,S'-dimethyl disulphate
RN: 94313-57-2
InChIKey: NRWADUZHDRTIGP-UHFFFAOYSA-L

Molecular Formula

  • C47-H98-N2-O4.2C-H3-O4-S

Molecular Weight

  • 977.4946
 
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Names and Synonyms

Synonym

  • EINECS 304-955-7

Systematic Name

  • N,N'-Bis(2-hydroxyethyl)-N,N'-dimethyl-N-octadecyl-N'-(2-(stearoyloxy)ethyl)-N,N'-propane-1,3-diyldiammonium S,S'-dimethyl disulphate

Registry Numbers

CAS Registry Number

  • 94313-57-2

System Generated Number

  • 0094313572

Molecular Formulas

Molecular Formula

  • C47-H98-N2-O4.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C47-H98-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C47H98N2O4.2CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-48(3,41-44-50)39-36-40-49(4,42-45-51)43-46-53-47(52)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;2*1-5-6(2,3)4/h50-51H,5-46H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

NRWADUZHDRTIGP-UHFFFAOYSA-L

Smiles

CCCCCCCCCCCCCCCCCC[N+](C)(CCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-].COS(=O)(=O)[O-]