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Substance Name: 2-((3-(2-Carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)-1-ethylquinolinium iodide
RN: 50378-82-0
InChIKey: MLKLIWREVBOCRN-UHFFFAOYSA-N

Molecular Formula

  • C22-H21-N2-O2-S.I

Molecular Weight

  • 504.3859
 
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Names and Synonyms

Synonym

  • EINECS 256-565-0

Systematic Name

  • 2-((3-(2-Carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)-1-ethylquinolinium iodide

Registry Numbers

CAS Registry Number

  • 50378-82-0

System Generated Number

  • 0050378820

Molecular Formulas

Molecular Formula

  • C22-H21-N2-O2-S.I

Molecular Formula Fragments

  • C22-H21-N2-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H20N2O2S.HI/c1-2-23-17(12-11-16-7-3-4-8-18(16)23)15-21-24(14-13-22(25)26)19-9-5-6-10-20(19)27-21;/h3-12,15H,2,13-14H2,1H3;1H

InChIKey

MLKLIWREVBOCRN-UHFFFAOYSA-N

Smiles

CC[n+]1c(ccc2c1cccc2)/C=C\3/N(c4ccccc4S3)CCC(=O)O.[I-]