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Substance Name: 2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide
RN: 4398-75-8
InChIKey: LEVKDWHMVSIKIA-UHFFFAOYSA-N

Molecular Formula

  • C21-H19-N2-O2-S.Br

Molecular Weight

  • 443.3631
 
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Names and Synonyms

Synonym

  • EINECS 224-528-8

Systematic Name

  • 2-((3-(Carboxymethyl)benzothiazol-2-inylidene)methyl)-1-ethylquinolinium bromide

Registry Numbers

CAS Registry Number

  • 4398-75-8

System Generated Number

  • 0004398758

Molecular Formulas

Molecular Formula

  • C21-H19-N2-O2-S.Br

Molecular Formula Fragments

  • Br
  • C21-H19-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H18N2O2S.BrH/c1-2-22-16(12-11-15-7-3-4-8-17(15)22)13-20-23(14-21(24)25)18-9-5-6-10-19(18)26-20;/h3-13H,2,14H2,1H3;1H

InChIKey

LEVKDWHMVSIKIA-UHFFFAOYSA-N

Smiles

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