dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate

Systemtic Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate Openeye Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate CAS Name: (1R,2S)-4-methyl-5-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester hexafluorophosphate IUPAC Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate hexafluorophosphate Traditional Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester hexafluorophosphate Formula: C16H20F6NO4P MolecularWeight: 435.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)OC)C(=O)OC)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)OC)C(=O)OC)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C16H20NO4.F6P/c1-11-9-12(15(18)20-2)13(16(19)21-3)10-14(11)17-7-5-4-6-8-17;1-7(2,3,4,5)6/h4-8,12-13H,9-10H2,1-3H3;/q+1;-1/t12-,13+;/m0./s1