4-[4-[5-(aminomethyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[5-(aminomethyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzenecarbonitrile Openeye Name: 4-[4-[5-(aminomethyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile CAS Name: 4-[4-[5-(aminomethyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile IUPAC Name: 4-[4-[5-(aminomethyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Traditional Name: 4-[4-[5-(aminomethyl)-1-triflyl-2H-pyridin-1-ium-1-yl]phenoxy]benzonitrile Formula: C20H17F3N3O3S+ MolecularWeight: 436.42749

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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)C(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)C(F)(F)F)CN

InChI

InChI=1S/C20H17F3N3O3S/c21-20(22,23)30(27,28)26(11-1-2-16(13-25)14-26)17-5-9-19(10-6-17)29-18-7-3-15(12-24)4-8-18/h1-10,14H,11,13,25H2/q+1