methyl 3-methyl-4-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate hexafluorophosphate

Systemtic Name: methyl 3-methyl-4-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate hexafluorophosphate Openeye Name: methyl 3-methyl-4-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate hexafluorophosphate CAS Name: 3-methyl-4-(1-pyridin-1-iumyl)-1-cyclohex-3-enecarboxylic acid methyl ester hexafluorophosphate IUPAC Name: methyl 3-methyl-4-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate hexafluorophosphate Traditional Name: 3-methyl-4-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylic acid methyl ester hexafluorophosphate Formula: C14H18F6NO2P MolecularWeight: 377.2624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO2.F6P/c1-11-10-12(14(16)17-2)6-7-13(11)15-8-4-3-5-9-15;1-7(2,3,4,5)6/h3-5,8-9,12H,6-7,10H2,1-2H3;/q+1;-1