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Substance Name: 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
RN: 65059-55-4
InChIKey: OMQZQCNSLQFDPV-UHFFFAOYSA-M

Molecular Formula

  • C50-H101-N2-O6.C-H3-O4-S

Molecular Weight

  • 937.453
 
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Names and Synonyms

Synonym

  • EINECS 265-336-4

Systematic Names

  • (2-((2-Hydroxyethyl)(2-hydroxypropyl)amino)ethyl)bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, distearate (ester)
  • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1)
  • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 65059-55-4

System Generated Number

  • 0065059554

Molecular Formulas

Molecular Formula

  • C50-H101-N2-O6.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C50-H101-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C50H101N2O6.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49(55)57-47(4)44-52(6,41-39-51(40-42-53)43-46(3)54)45-48(5)58-50(56)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h46-48,53-54H,7-45H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

OMQZQCNSLQFDPV-UHFFFAOYSA-M

Smiles

O[C@@H](C)C[N@@](CCO)CC[N+](C[C@@H](C)OC(=O)CCCCCCCCCCCCCCCCC)(C)C[C@@H](C)OC(=O)CCCCCCCCCCCCCCCCC.S([O-])(=O)(=O)OC