2-(2,4,6-triphenylpyridin-1-ium-1-yl)-5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazole diperchlorate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazole diperchlorate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazole diperchlorate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-5-[3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazole diperchlorate IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazole diperchlorate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazole diperchlorate Formula: C51H40Cl2N4O8S MolecularWeight: 939.8563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC4=NN=C(S4)[N+]5=C(C=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC4=NN=C(S4)[N+]5=C(C=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C51H40N4S.2ClHO4/c1-7-20-38(21-8-1)44-34-46(40-24-11-3-12-25-40)54(47(35-44)41-26-13-4-14-27-41)33-19-32-50-52-53-51(56-50)55-48(42-28-15-5-16-29-42)36-45(39-22-9-2-10-23-39)37-49(55)43-30-17-6-18-31-43;2*2-1(3,4)5/h1-18,20-31,34-37H,19,32-33H2;2*(H,2,3,4,5)/q+2;;/p-2