Carboxydimidium
[CAS# 66442-94-2]

Identification

• Name: Carboxydimidium
• Synonyms: 4-(3,8-Diamino-5-Methyl-Phenanthridin-5-Ium-6-Yl)Benzoic Acid Chloride; 4-(3,8-Diamino-5-Methyl-6-Phenanthridin-5-Iumyl)Benzoic Acid Chloride; 3,8-Diamino-6-(4-Carboxyphenyl)-5-Methylphenanthridinium Chloride
• Molecular Formula: C₂₁H₁₈ClN₃O₂
• Molecular Weight: 379.85
• CAS Registry Number: 66442-94-2
• SMILES: C1=C(N)C=CC2=C4C(=[N+](C(=C12)C3=CC=C(C=C3)C(O)=O)C)C=C(N)C=C4.[Cl-]
• InChI: 1S/C21H17N3O2.ClH/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);1H
• InChIKey: BDPDBMJZOJIFLS-UHFFFAOYSA-N