1-methyl-4-[5-(1-methyl-2,6-diphenyl-pyridin-1-ium-4-yl)pentyl]-2,6-diphenyl-pyridin-1-ium diperchlorate

Systemtic Name: 1-methyl-4-[5-(1-methyl-2,6-diphenyl-pyridin-1-ium-4-yl)pentyl]-2,6-diphenyl-pyridin-1-ium diperchlorate Openeye Name: 1-methyl-4-[5-(1-methyl-2,6-diphenyl-pyridin-1-ium-4-yl)pentyl]-2,6-diphenyl-pyridin-1-ium diperchlorate CAS Name: 1-methyl-4-[5-(1-methyl-2,6-diphenyl-4-pyridin-1-iumyl)pentyl]-2,6-diphenylpyridin-1-ium diperchlorate IUPAC Name: 1-methyl-4-[5-(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)pentyl]-2,6-diphenylpyridin-1-ium diperchlorate Traditional Name: 1-methyl-4-[5-(1-methyl-2,6-diphenyl-pyridin-1-ium-4-yl)pentyl]-2,6-diphenyl-pyridin-1-ium diperchlorate Formula: C41H40Cl2N2O8 MolecularWeight: 759.6709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)CCCCCC3=CC(=[N+](C(=C3)C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)CCCCCC3=CC(=[N+](C(=C3)C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C41H40N2.2ClHO4/c1-42-38(34-20-10-4-11-21-34)28-32(29-39(42)35-22-12-5-13-23-35)18-8-3-9-19-33-30-40(36-24-14-6-15-25-36)43(2)41(31-33)37-26-16-7-17-27-37;2*2-1(3,4)5/h4-7,10-17,20-31H,3,8-9,18-19H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2