[1-methylsulfonyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-methylsulfonyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-methylsulfonyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-methylsulfonyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-methylsulfonyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-mesyl-1-[4-phenoxy-3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H20F3N2O3S+ MolecularWeight: 425.44461

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N2O3S/c1-29(26,27)25(11-5-6-15(13-24)14-25)16-9-10-19(18(12-16)20(21,22)23)28-17-7-3-2-4-8-17/h2-10,12,14H,11,13,24H2,1H3/q+1