5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione hexafluorophosphate

Systemtic Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione hexafluorophosphate Openeye Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione hexafluorophosphate CAS Name: 5-methyl-2-phenyl-6-(1-pyridin-1-iumyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione hexafluorophosphate IUPAC Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione hexafluorophosphate Traditional Name: 5-methyl-2-phenyl-6-pyridin-1-ium-1-yl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone hexafluorophosphate Formula: C20H19F6N2O2P MolecularWeight: 464.34124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC=C4.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3)[N+]4=CC=CC=C4.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C20H19N2O2.F6P/c1-14-12-16-17(13-18(14)21-10-6-3-7-11-21)20(24)22(19(16)23)15-8-4-2-5-9-15;1-7(2,3,4,5)6/h2-11,16-17H,12-13H2,1H3;/q+1;-1