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Substance Name: Benz(cd)indolium, 6-chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, acetate (1:1)
RN: 92952-73-3
InChIKey: GIAXHZDAQMKKKP-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C22-H22-Cl-N2-O.C2-H3-O2

Molecular Weight

  • 424.926
 
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Names and Synonyms

Synonym

  • EINECS 296-673-5

Systematic Names

  • 6-Chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methylbenz(cd)indolium acetate
  • Benz(cd)indolium, 6-chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, acetate (1:1)
  • Benz(cd)indolium, 6-chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, acetate (salt)

Registry Numbers

CAS Registry Number

  • 92952-73-3

System Generated Number

  • 0092952733

Molecular Formulas

Molecular Formula

  • C22-H22-Cl-N2-O.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C22-H22-Cl-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22ClN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

GIAXHZDAQMKKKP-UHFFFAOYSA-M

Smiles

[N+]=1(c2ccc(c3cccc(C1c1ccc(cc1)N(CCO)CC)c23)Cl)C.C(C)(=O)[O-]