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

Systemtic Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate Openeye Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate CAS Name: (1S,2S)-4-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester hexafluorophosphate IUPAC Name: dimethyl (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate Traditional Name: (1S,2S)-4-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester hexafluorophosphate Formula: C15H18F6NO4P MolecularWeight: 421.2719

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(CC1C(=O)OC)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO4.F6P/c1-19-14(17)12-7-6-11(10-13(12)15(18)20-2)16-8-4-3-5-9-16;1-7(2,3,4,5)6/h3-6,8-9,12-13H,7,10H2,1-2H3;/q+1;-1/t12-,13-;/m0./s1