[1-ethylsulfonyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-6-yl]methylamine Formula: C21H22F3N2O3S+ MolecularWeight: 439.47119

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F

InChI

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