heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate

Systemtic Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Openeye Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate CAS Name: 3-heptadecoxy-2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-butenoic acid heptadecyl ester hexafluorophosphate IUPAC Name: heptadecyl 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Traditional Name: 3-heptadecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoic acid heptadecyl ester hexafluorophosphate Formula: C47H86F6NO3P MolecularWeight: 858.15482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C47H86NO3.F6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-50-45(6)46(41-48-43(4)39-42(3)40-44(48)5)47(49)51-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-7(2,3,4,5)6/h39-40,46H,6-38,41H2,1-5H3;/q+1;-1