(1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate

Systemtic Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate Openeye Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate CAS Name: (1S,2S)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate IUPAC Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate Traditional Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarbonitrile hexafluorophosphate Formula: C13H12F6N3P MolecularWeight: 355.21866

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C#N)C#N)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C#N)C#N)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C13H12N3.F6P/c14-9-11-4-5-13(8-12(11)10-15)16-6-2-1-3-7-16;1-7(2,3,4,5)6/h1-3,5-7,11-12H,4,8H2;/q+1;-1/t11-,12-;/m1./s1