[3-(1-hexyl-4-propyl-piperidin-1-ium-1-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(1-hexyl-4-propyl-piperidin-1-ium-1-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(1-hexyl-4-propyl-piperidin-1-ium-1-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(1-hexyl-4-propyl-1-piperidin-1-iumyl)phenyl] ester IUPAC Name: [3-(1-hexyl-4-propylpiperidin-1-ium-1-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(1-hexyl-4-propyl-piperidin-1-ium-1-yl)phenyl] ester Formula: C21H33F3NO3S+ MolecularWeight: 436.55183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCC(CC1)CCC)C2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCC[N+]1(CCC(CC1)CCC)C2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H33F3NO3S/c1-3-5-6-7-14-25(15-12-18(9-4-2)13-16-25)19-10-8-11-20(17-19)28-29(26,27)21(22,23)24/h8,10-11,17-18H,3-7,9,12-16H2,1-2H3/q+1