4-pyridin-4-yl-1-[[2-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dihexafluorophosphate

Systemtic Name: 4-pyridin-4-yl-1-[[2-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dihexafluorophosphate Openeye Name: 4-(4-pyridyl)-1-[[2-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium dihexafluorophosphate CAS Name: 4-pyridin-4-yl-1-[[2-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methyl]pyridin-1-ium dihexafluorophosphate IUPAC Name: 4-pyridin-4-yl-1-[[2-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium dihexafluorophosphate Traditional Name: 4-(4-pyridyl)-1-[2-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzyl]pyridin-1-ium dihexafluorophosphate Formula: C28H24F12N4P2 MolecularWeight: 706.44532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C28H24N4.2F6P/c1-2-4-28(22-32-19-11-26(12-20-32)24-7-15-30-16-8-24)27(3-1)21-31-17-9-25(10-18-31)23-5-13-29-14-6-23;2*1-7(2,3,4,5)6/h1-20H,21-22H2;;/q+2;2*-1