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

Systemtic Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-4-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-4-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-4-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-4-yl]methanamine Traditional Name: [1-esyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-4-yl]methylamine Formula: C21H22F3N2O3S+ MolecularWeight: 439.47119

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=C(C=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=C(C=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N2O3S/c1-2-30(27,28)26(13-11-16(15-25)12-14-26)17-7-9-18(10-8-17)29-20-6-4-3-5-19(20)21(22,23)24/h3-13H,2,14-15,25H2,1H3/q+1