(1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate

Systemtic Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Openeye Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate CAS Name: (1S,2R)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate IUPAC Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Traditional Name: (1S,2R)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Formula: C13H14F6NO4P MolecularWeight: 393.21874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4.F6P/c15-12(16)10-5-4-9(8-11(10)13(17)18)14-6-2-1-3-7-14;1-7(2,3,4,5)6/h1-4,6-7,10-11H,5,8H2,(H-,15,16,17,18);/q;-1/p+1/t10-,11+;/m0./s1