Pyrvinium
[CAS# 7187-62-4]

Identification

• Name: Pyrvinium
• Synonyms: 4-[(3-Carboxylato-2-Hydroxynaphthalen-1-Yl)Methyl]-3-Hydroxynaphthalene-2-Carboxylate; 2-[2-(2,5-Dimethyl-1-Phenylpyrrol-3-Yl)Ethenyl]-N,N,1-Trimethylquinolin-1-Ium-6-Amine; 4-[(3-Carboxylato-2-Hydroxynaphthalen-1-Yl)Methyl]-3-Hydroxynaphthalene-2-Carboxylate; 2-[(E)-2-(2,5-Dimethyl-1-Phenylpyrrol-3-Yl)Ethenyl]-N,N,1-Trimethylquinolin-1-Ium-6-Amine; 4-[(3-Carboxylato-2-Hydroxy-1-Naphthyl)Methyl]-3-Hydroxy-Naphthalene-2-Carboxylate; 2-[(E)-2-(2,5-Dimethyl-1-Phenyl-Pyrrol-3-Yl)Vinyl]-N,N,1-Trimethyl-Quinolin-1-Ium-6-Amine
• Molecular Formula: C₇₅H₇₀N₆O₆
• Molecular Weight: 1151.41
• CAS Registry Number: 7187-62-4
• SMILES: C1=CC=CC2=C1C(=C(C(=C2)C(=O)[O-])O)CC3=C(C(=CC4=C3C=CC=C4)C(=O)[O-])O.C8=C([N]7C(=C(C=CC5=CC=C6C(=[N+]5C)C=CC(=C6)N(C)C)C=C7C)C)C=CC=C8.C%12=C([N]%11C(=C(C=CC9=CC=C%10C(=[N+]9C)C=CC(=C%10)N(C)C)C=C%11C)C)C=CC=C%12
• InChI: 1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2
• InChIKey: OOPDAHSJBRZRPH-UHFFFAOYSA-L