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Substance Name: Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride
RN: 84254-85-3
InChIKey: KTCMDOCMQBZFOH-UHFFFAOYSA-N

Molecular Formula

  • C43-H59-N2-O3.Cl

Molecular Weight

  • 685.3873
 
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Names and Synonyms

Synonym

  • EINECS 282-530-4

Systematic Name

  • Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride

Registry Numbers

CAS Registry Number

  • 84254-85-3

System Generated Number

  • 0084254853

Molecular Formulas

Molecular Formula

  • C43-H59-N2-O3.Cl

Molecular Formula Fragments

  • C43-H59-N2-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C43H56N2O3.ClH/c46-34-33-45(36-39-23-13-9-14-24-39,37-43(48)40-25-15-10-16-26-40)32-20-7-5-3-1-2-4-6-19-30-44(35-38-21-11-8-12-22-38)31-29-41-27-17-18-28-42(41)47;/h8-18,21-28,46H,1-7,19-20,29-37H2;1H

InChIKey

KTCMDOCMQBZFOH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN(CCCCCCCCCCC[N+](CCO)(Cc2ccccc2)CC(=O)c3ccccc3)CCc4ccccc4O.[Cl-]