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Substance Name: Carboxydimidium
RN: 66442-94-2
InChIKey: BACYQOWCVRPKAG-UHFFFAOYSA-O

Molecular Formula

  • C21-H18-N3-O2

Molecular Weight

  • 344.392
 
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Names and Synonyms

Name of Substance

  • Carboxydimidium

Synonym

  • 3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium

Systematic Name

  • Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 66442-94-2

Related Registry Number

  • 52671-19-9 (chloride)

System Generated Number

  • 0066442942

Structure Descriptors

InChI

1S/C21H17N3O2/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(5-3-12)21(25)26/h2-11,23H,22H2,1H3,(H,25,26)/p+1

InChIKey

BACYQOWCVRPKAG-UHFFFAOYSA-O

Smiles

c1cc(cc2[n+](c(c3cc(ccc3c12)N)c1ccc(cc1)C(=O)O)C)N