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Substance Name: 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1)
RN: 72252-45-0
InChIKey: GMIHMJDYWZDDEC-UHFFFAOYSA-M

Molecular Formula

  • C22-H26-Cl-N2.C2-H3-O2

Molecular Weight

  • 412.958
 
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Names and Synonyms

Synonym

  • EINECS 276-537-1

Systematic Names

  • 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate
  • 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate
  • 3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1)

Registry Numbers

CAS Registry Number

  • 72252-45-0

System Generated Number

  • 0072252450

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N2.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C22-H26-Cl-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClN2.C2H4O2/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-2(3)4/h5-14H,15-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

GMIHMJDYWZDDEC-UHFFFAOYSA-M

Smiles

[N+]=1(c2ccccc2C(C)(C)C1\C=C\c1ccc(cc1)N(C)CCCl)C.C(C)(=O)[O-]