1-[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate

Systemtic Name: 1-[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate Openeye Name: 1-[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]-2,4-dimethyl-6-tetradecyl-pyridin-1-ium dihexafluorophosphate CAS Name: 1-[3-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)propyl]-2,4-dimethyl-6-tetradecylpyridin-1-ium dihexafluorophosphate IUPAC Name: 1-[3-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)propyl]-2,4-dimethyl-6-tetradecylpyridin-1-ium dihexafluorophosphate Traditional Name: 1-[3-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)propyl]-2,4-dimethyl-6-myristyl-pyridin-1-ium dihexafluorophosphate Formula: C45H80F12N2P2 MolecularWeight: 939.05846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCC[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+]1CCC[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/C45H80N2.2F6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-32-44-38-40(3)36-42(5)46(44)34-31-35-47-43(6)37-41(4)39-45(47)33-30-28-26-24-22-20-18-16-14-12-10-8-2;2*1-7(2,3,4,5)6/h36-39H,7-35H2,1-6H3;;/q+2;2*-1