1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenyl-pyridin-1-ium diperchlorate

Systemtic Name: 1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenyl-pyridin-1-ium diperchlorate Openeye Name: 1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenyl-pyridin-1-ium diperchlorate CAS Name: 1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenylpyridin-1-ium diperchlorate IUPAC Name: 1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenylpyridin-1-ium diperchlorate Traditional Name: 1-(1-methyl-1,2,4-triazol-1-ium-4-yl)-2,4,6-triphenyl-pyridin-1-ium diperchlorate Formula: C26H22Cl2N4O8 MolecularWeight: 589.38088

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=N1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CN(C=N1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H22N4.2ClHO4/c1-28-20-29(19-27-28)30-25(22-13-7-3-8-14-22)17-24(21-11-5-2-6-12-21)18-26(30)23-15-9-4-10-16-23;2*2-1(3,4)5/h2-20H,1H3;2*(H,2,3,4,5)/q+2;;/p-2