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Substance Name: 1-Benzyl-4,5-dihydro-1-(3-((1-oxotetradecyl)amino)propyl)-2-tridecyl-1H-imidazolium chloride
RN: 97337-80-9
InChIKey: UXEQJLXXCVSCDD-UHFFFAOYSA-N

Molecular Formula

  • C40-H72-N3-O.Cl

Molecular Weight

  • 646.4818
 
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Names and Synonyms

Synonym

  • EINECS 306-574-1

Systematic Name

  • 1-Benzyl-4,5-dihydro-1-(3-((1-oxotetradecyl)amino)propyl)-2-tridecyl-1H-imidazolium chloride

Registry Numbers

CAS Registry Number

  • 97337-80-9

System Generated Number

  • 0097337809

Molecular Formulas

Molecular Formula

  • C40-H72-N3-O.Cl

Molecular Formula Fragments

  • C40-H72-N3-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C40H71N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-31-39-41-34-36-43(39,37-38-29-24-23-25-30-38)35-28-33-42-40(44)32-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,29-30H,3-22,26-28,31-37H2,1-2H3;1H

InChIKey

UXEQJLXXCVSCDD-UHFFFAOYSA-N

Smiles

C1(=NCC[N@@+]1(CCCNC(CCCCCCCCCCCCC)=O)Cc1ccccc1)CCCCCCCCCCCCC.[ClH-]