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Substance Name: 4-(N-(3-Chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium
RN: 13681-36-2
InChIKey: OPAOKJFFLPFHDC-FXRZFVDSSA-N

Note

  • Alkenyl analog of McN-A-343.

Molecular Formula

  • C14-H20-Cl-N2-O2.Cl

Molecular Weight

  • 319.23
 
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Names and Synonyms

Name of Substance

  • 4-(N-(3-Chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium

Synonym

  • (4-Hydroxy-2-butenyl)trimethylammonium chloride m-chlorocarbanilate

Systematic Names

  • 2-Buten-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride
  • Ammonium, (4-hydroxy-2-butenyl)trimethyl-, chloride, m-chlorocarbanilate

Registry Numbers

CAS Registry Number

  • 13681-36-2

System Generated Number

  • 0013681362

Molecular Formulas

Molecular Formula

  • C14-H20-Cl-N2-O2.Cl

Molecular Formula Fragments

  • C14-H20-Cl-N2-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h4-8,11H,9-10H2,1-3H3;1H/b5-4+;

InChIKey

OPAOKJFFLPFHDC-FXRZFVDSSA-N

Smiles

C[N+](C)(C)C/C=C/COC(=O)Nc1cccc(c1)Cl.[Cl-]