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Substance Name: 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium sulphate (2:1)
RN: 83950-01-0
InChIKey: HDLZSXOGUGMZLJ-UHFFFAOYSA-L

Molecular Formula

  • C23-H26-N3.1/2O4-S

Molecular Weight

  • 785.0208
 
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Names and Synonyms

Synonym

  • EINECS 281-458-0

Systematic Names

  • 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium sulphate (2:1)
  • 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 83950-01-0

System Generated Number

  • 0083950010

Molecular Formulas

Molecular Formula

  • C23-H26-N3.1/2O4-S

Molecular Formula Fragments

  • C23-H26-N3
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C23H26N3.H2O4S/c2*1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h2*5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

HDLZSXOGUGMZLJ-UHFFFAOYSA-L

Smiles

CC1(C(=[N+](c2c1cccc2)C)/C=C/c3ccc(cc3)N(CCC#N)C)C.CC1(C(=[N+](c2c1cccc2)C)/C=C/c3ccc(cc3)N(CCC#N)C)C.[O-]S(=O)(=O)[O-]