4-[4-[5-(aminomethyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[5-(aminomethyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile Openeye Name: 4-[4-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile CAS Name: 4-[4-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile IUPAC Name: 4-[4-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Traditional Name: 4-[4-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Formula: C21H19F3N3O3S+ MolecularWeight: 450.45407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C[N+]1(C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)S(=O)(=O)CC(F)(F)F)CN

Isomeric SMILES

C1C=CC(=C[N+]1(C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)S(=O)(=O)CC(F)(F)F)CN

InChI

InChI=1S/C21H19F3N3O3S/c22-21(23,24)15-31(28,29)27(11-1-2-17(13-26)14-27)18-5-9-20(10-6-18)30-19-7-3-16(12-25)4-8-19/h1-10,14H,11,13,15,26H2/q+1