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Substance Name: 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, phosphate (1:1)
RN: 72208-20-9
InChIKey: WIUVJBSMLKSOOV-UHFFFAOYSA-M

Molecular Formula

  • C25-H30-N3.H2-O4-P

Molecular Weight

  • 469.5188
 
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Names and Synonyms

Synonyms

  • 2-(4-((2-Cyanoethyl)ethylamino)-2-methylstyryl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
  • 2-(4-((2-Cyanoethyl)ethylamino)-2-methylstyryl)-1,3,3-trimethyl-3H-indolium, dihydrogen phosphate
  • EINECS 276-470-8

Systematic Names

  • 2-(2-(4-((2-Cyanoethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
  • 3H-Indolium, 2-(2-(4-((2-cyanoethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 72208-20-9

System Generated Number

  • 0072208209

Molecular Formulas

Molecular Formula

  • C25-H30-N3.H2-O4-P

Molecular Formula Fragments

  • C25-H30-N3
  • COMPONENT
  • H2-O4-P

Structure Descriptors

InChI

1S/C25H30N3.H3O4P/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;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-1

InChIKey

WIUVJBSMLKSOOV-UHFFFAOYSA-M

Smiles

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