[1-[4-(2-ethoxyphenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H24F3N2O4S+ MolecularWeight: 469.49717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C22H24F3N2O4S/c1-2-30-20-7-3-4-8-21(20)31-19-11-9-18(10-12-19)27(13-5-6-17(14-26)15-27)32(28,29)16-22(23,24)25/h3-12,15H,2,13-14,16,26H2,1H3/q+1