4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol hexafluorophosphate

Systemtic Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol hexafluorophosphate Openeye Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol hexafluorophosphate CAS Name: 4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]benzene-1,2-diol hexafluorophosphate IUPAC Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol hexafluorophosphate Traditional Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]pyrocatechol hexafluorophosphate Formula: C16H20F6NO2P MolecularWeight: 403.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C16H19NO2.F6P/c1-11-8-12(2)17(13(3)9-11)7-6-14-4-5-15(18)16(19)10-14;1-7(2,3,4,5)6/h4-5,8-10H,6-7H2,1-3H3,(H-,18,19);/q;-1/p+1