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Substance Name: 1-Benzyl-3-carboxypyridinium chloride, compound with 2,2',2''-nitrilotriethanol (1:1)
RN: 94199-83-4
InChIKey: OHJHAXVQIIDOHQ-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N-O2.C6-H15-N-O3.Cl

Molecular Weight

  • 398.8843
 
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Names and Synonyms

Synonym

  • EINECS 303-458-2

Systematic Name

  • 1-Benzyl-3-carboxypyridinium chloride, compound with 2,2',2''-nitrilotriethanol (1:1)

Registry Numbers

CAS Registry Number

  • 94199-83-4

System Generated Number

  • 0094199834

Molecular Formulas

Molecular Formula

  • C13-H12-N-O2.C6-H15-N-O3.Cl

Molecular Formula Fragments

  • C13-H12-N-O2
  • C6-H15-N-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C13H11NO2.C6H15NO3.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;8-4-1-7(2-5-9)3-6-10;/h1-8,10H,9H2;8-10H,1-6H2;1H

InChIKey

OHJHAXVQIIDOHQ-UHFFFAOYSA-N

Smiles

[n+]1(cc(C(=O)O)ccc1)Cc1ccccc1.[Cl-].N(CCO)(CCO)CCO