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Substance Name: 5-Chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate
RN: 93686-61-4
InChIKey: FPHRRWFKFIRMTG-UHFFFAOYSA-M

Molecular Formula

  • C23-H25-Cl-N3.C2-H3-O2

Molecular Weight

  • 437.9682
 
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Names and Synonyms

Synonym

  • EINECS 297-713-4

Systematic Name

  • 5-Chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate

Registry Numbers

CAS Registry Number

  • 93686-61-4

System Generated Number

  • 0093686614

Molecular Formulas

Molecular Formula

  • C23-H25-Cl-N3.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C23-H25-Cl-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25ClN3.C2H4O2/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-2(3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

FPHRRWFKFIRMTG-UHFFFAOYSA-M

Smiles

CC(=O)[O-].CC1(c2cc(ccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)Cl)C