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

Systemtic Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Openeye Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate CAS Name: (1R,2S)-4-methyl-5-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate IUPAC Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Traditional Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid hexafluorophosphate Formula: C14H16F6NO4P MolecularWeight: 407.24532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4.F6P/c1-9-7-10(13(16)17)11(14(18)19)8-12(9)15-5-3-2-4-6-15;1-7(2,3,4,5)6/h2-6,10-11H,7-8H2,1H3,(H-,16,17,18,19);/q;-1/p+1/t10-,11+;/m0./s1