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Substance Name: 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
RN: 27564-02-9
InChIKey: RJGCNXIGYJWDRB-UHFFFAOYSA-M

Molecular Formula

  • C23-H25-Cl-N3.Cl

Molecular Weight

  • 414.378
 
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Names and Synonyms

Synonyms

  • 1,3,3-Trimethyl-5-chloro-2-(2-(4-(N-methyl-N-beta-cyanoethylamino)phenyl)vinyl)indolium chloride
  • EINECS 248-529-8

Systematic Names

  • 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride
  • 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
  • 5-Chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride

Registry Numbers

CAS Registry Number

  • 27564-02-9

System Generated Number

  • 0027564029

Molecular Formulas

Molecular Formula

  • C23-H25-Cl-N3.Cl

Molecular Formula Fragments

  • C23-H25-Cl-N3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25ClN3.ClH/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;/h6-13,16H,5,15H2,1-4H3;1H/q+1;/p-1

InChIKey

RJGCNXIGYJWDRB-UHFFFAOYSA-M

Smiles

[N+]1(=C(C(C)(C)c2c1ccc(Cl)c2)\C=C\c1ccc(cc1)N(CCC#N)C)C.[ClH-]