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Substance Name: 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium methyl sulphate
RN: 85187-82-2
InChIKey: YCGIYKJTOOCUTE-UHFFFAOYSA-M

Molecular Formula

  • C23-H26-N3.C-H3-O4-S

Molecular Weight

  • 455.5761
 
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Names and Synonyms

Synonym

  • EINECS 286-170-9

Systematic Name

  • 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 85187-82-2

System Generated Number

  • 0085187822

Molecular Formulas

Molecular Formula

  • C23-H26-N3.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C23-H26-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26N3.CH4O4S/c1-23(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;1-5-6(2,3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

YCGIYKJTOOCUTE-UHFFFAOYSA-M

Smiles

CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)C.COS(=O)(=O)[O-]