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Substance Name: 2-(2-(4-((2-Cyanoethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate
RN: 84012-51-1
InChIKey: BKLVTRULGQWEOL-UHFFFAOYSA-M

Molecular Formula

  • C25-H30-N3.C2-H3-O2

Molecular Weight

  • 431.5767
 
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Names and Synonyms

Synonym

  • EINECS 281-691-8

Systematic Name

  • 2-(2-(4-((2-Cyanoethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate

Registry Numbers

CAS Registry Number

  • 84012-51-1

System Generated Number

  • 0084012511

Molecular Formulas

Molecular Formula

  • C25-H30-N3.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C25-H30-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30N3.C2H4O2/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-2(3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

BKLVTRULGQWEOL-UHFFFAOYSA-M

Smiles

CCN(CCC#N)c1ccc(c(c1)C)/C=C/C2=[N+](c3ccccc3C2(C)C)C.CC(=O)[O-]