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Substance Name: 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium sulphate (2:1)
RN: 85187-88-8
InChIKey: AJSXYXQFLIXLSN-UHFFFAOYSA-L

Molecular Formula

  • C22-H26-Cl-N2.1/2O4-S

Molecular Weight

  • 803.8908
 
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Names and Synonyms

Synonym

  • EINECS 286-177-7

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85187-88-8

System Generated Number

  • 0085187888

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N2.1/2O4-S

Molecular Formula Fragments

  • C22-H26-Cl-N2
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C22H26ClN2.H2O4S/c2*1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h2*5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

AJSXYXQFLIXLSN-UHFFFAOYSA-L

Smiles

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