1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate

Systemtic Name: 1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate Openeye Name: 1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate CAS Name: 1-octadecyl-4-(1-octadecyl-4-pyridin-1-iumyl)pyridin-1-ium diperchlorate IUPAC Name: 1-octadecyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate Traditional Name: 1-stearyl-4-(1-stearylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate Formula: C46H82Cl2N2O8 MolecularWeight: 862.05788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C46H82N2.2ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-47-41-35-45(36-42-47)46-37-43-48(44-38-46)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*2-1(3,4)5/h35-38,41-44H,3-34,39-40H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2