tert-butyl N,N-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]carbamate dihexafluorophosphate

Systemtic Name: tert-butyl N,N-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]carbamate dihexafluorophosphate Openeye Name: tert-butyl N,N-bis[3-(2,4-dimethyl-6-tetradecyl-pyridin-1-ium-1-yl)propyl]carbamate dihexafluorophosphate CAS Name: N,N-bis[3-(2,4-dimethyl-6-tetradecyl-1-pyridin-1-iumyl)propyl]carbamic acid tert-butyl ester dihexafluorophosphate IUPAC Name: tert-butyl N,N-bis[3-(2,4-dimethyl-6-tetradecylpyridin-1-ium-1-yl)propyl]carbamate dihexafluorophosphate Traditional Name: N,N-bis[3-(2,4-dimethyl-6-myristyl-pyridin-1-ium-1-yl)propyl]carbamic acid tert-butyl ester dihexafluorophosphate Formula: C53H95F12N3O2P2 MolecularWeight: 1096.26866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCN(CCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C(=O)OC(C)(C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC(=[N+]1CCCN(CCC[N+]2=C(C=C(C=C2CCCCCCCCCCCCCC)C)C)C(=O)OC(C)(C)C)C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C53H95N3O2.2F6P/c1-10-12-14-16-18-20-22-24-26-28-30-32-36-50-44-46(3)42-48(5)55(50)40-34-38-54(52(57)58-53(7,8)9)39-35-41-56-49(6)43-47(4)45-51(56)37-33-31-29-27-25-23-21-19-17-15-13-11-2;2*1-7(2,3,4,5)6/h42-45H,10-41H2,1-9H3;;/q+2;2*-1