4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]benzenecarbonitrile dihexafluorophosphate

Systemtic Name: 4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]benzenecarbonitrile dihexafluorophosphate Openeye Name: 4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]benzonitrile dihexafluorophosphate CAS Name: 4-[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]benzonitrile dihexafluorophosphate IUPAC Name: 4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]benzonitrile dihexafluorophosphate Traditional Name: 4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]benzonitrile dihexafluorophosphate Formula: C18H15F12N3P2 MolecularWeight: 563.26016

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)C#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)C#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C18H15N3.2F6P/c1-20-10-6-16(7-11-20)17-8-12-21(13-9-17)18-4-2-15(14-19)3-5-18;2*1-7(2,3,4,5)6/h2-13H,1H3;;/q+2;2*-1