4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid hexafluorophosphate

Systemtic Name: 4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid hexafluorophosphate Openeye Name: 4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoic acid hexafluorophosphate CAS Name: 4-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]benzoic acid hexafluorophosphate IUPAC Name: 4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid hexafluorophosphate Traditional Name: 4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoic acid hexafluorophosphate Formula: C18H15F6N2O2P MolecularWeight: 436.28808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C18H14N2O2.F6P/c21-18(22)17-3-1-14(2-4-17)13-20-11-7-16(8-12-20)15-5-9-19-10-6-15;1-7(2,3,4,5)6/h1-12H,13H2;/q;-1/p+1