[1-ethylsulfonyl-1-[4-[2-(trifluoromethyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethoxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethoxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethoxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-[2-(trifluoromethoxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H22F3N2O4S+ MolecularWeight: 455.47059

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C21H22F3N2O4S/c1-2-31(27,28)26(13-5-6-16(14-25)15-26)17-9-11-18(12-10-17)29-19-7-3-4-8-20(19)30-21(22,23)24/h3-12,15H,2,13-14,25H2,1H3/q+1