4-[3-[5-(aminomethyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[3-[5-(aminomethyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[3-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluoro-benzonitrile CAS Name: 4-[3-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluorobenzonitrile IUPAC Name: 4-[3-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluorobenzonitrile Traditional Name: 4-[3-[5-(aminomethyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]-3-fluoro-benzonitrile Formula: C21H18F4N3O3S+ MolecularWeight: 468.444533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F4N3O3S/c22-19-9-15(11-26)6-7-20(19)31-18-5-1-4-17(10-18)28(8-2-3-16(12-27)13-28)32(29,30)14-21(23,24)25/h1-7,9-10,13H,8,12,14,27H2/q+1