1-[7-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)heptyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate

Systemtic Name: 1-[7-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)heptyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate Openeye Name: 1-[7-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)heptyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate CAS Name: 1-[7-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)heptyl]-2,4-dimethyl-6-tetradecylpyridin-1-ium dihexafluorophosphate IUPAC Name: 1-[7-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)heptyl]-2,4-dimethyl-6-tetradecylpyridin-1-ium dihexafluorophosphate Traditional Name: 1-[7-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)heptyl]-2,4-dimethyl-6-myristyl-pyridin-1-ium dihexafluorophosphate Formula: C49H88F12N2P2 MolecularWeight: 995.16478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCCCCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCCCCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C49H88N2.2F6P/c1-7-9-11-13-15-17-19-21-23-25-28-32-36-48-42-44(3)40-46(5)50(48)38-34-30-27-31-35-39-51-47(6)41-45(4)43-49(51)37-33-29-26-24-22-20-18-16-14-12-10-8-2;2*1-7(2,3,4,5)6/h40-43H,7-39H2,1-6H3;;/q+2;2*-1