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Substance Name: Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)
RN: 133041-62-0
InChIKey: ADXNQLDGNKBUQM-UHFFFAOYSA-N

Molecular Formula

  • C26-H26-Cl2-N3-O.C-F3-O3-S

Molecular Weight

  • 616.485
 
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Names and Synonyms

Synonym

  • Methanesulfonic acid, trifluoro-, ion(1-), 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methylquinolinium

Systematic Name

  • Quinolinium, 4-((4-(4-(bis(2-chloroethyl)amino)phenoxy)phenyl)amino)-1-methyl-, salt with trifluoromethanesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 133041-62-0

System Generated Number

  • 0133041620

Molecular Formulas

Molecular Formula

  • C26-H26-Cl2-N3-O.C-F3-O3-S

Molecular Formula Fragments

  • C-F3-O3-S
  • C26-H26-Cl2-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C26H25Cl2N3O.CHF3O3S/c1-30-17-14-25(24-4-2-3-5-26(24)30)29-20-6-10-22(11-7-20)32-23-12-8-21(9-13-23)31(18-15-27)19-16-28;2-1(3,4)8(5,6)7/h2-14,17H,15-16,18-19H2,1H3;(H,5,6,7)

InChIKey

ADXNQLDGNKBUQM-UHFFFAOYSA-N

Smiles

C(S(=O)(=O)[O-])(F)(F)F.[n+]1(ccc(c2ccccc12)Nc1ccc(cc1)Oc1ccc(cc1)N(CCCl)CCCl)C