5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium diperchlorate

Systemtic Name: 5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium diperchlorate Openeye Name: 5-methyl-3-[[5-methyl-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium diperchlorate CAS Name: 5-methyl-3-[[5-methyl-4-(1-naphthalenyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthalenyl)-1-phenyl-1,2,4-triazol-4-ium diperchlorate IUPAC Name: 5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium diperchlorate Traditional Name: 5-methyl-3-[[5-methyl-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium diperchlorate Formula: C39H32Cl2N6O8 MolecularWeight: 783.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=CC=C2)CC3=NN(C(=[N+]3C4=CC=CC5=CC=CC=C54)C)C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=CC=C2)CC3=NN(C(=[N+]3C4=CC=CC5=CC=CC=C54)C)C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H32N6.2ClHO4/c1-28-42(36-25-13-17-30-15-9-11-23-34(30)36)38(40-44(28)32-19-5-3-6-20-32)27-39-41-45(33-21-7-4-8-22-33)29(2)43(39)37-26-14-18-31-16-10-12-24-35(31)37;2*2-1(3,4)5/h3-26H,27H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2