hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate

Systemtic Name: hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate Openeye Name: hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate CAS Name: hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate IUPAC Name: hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate Traditional Name: hydron; 4-methoxy-1-methyl-3-phenoxy-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; sulfate Formula: C20H18F3NO6S MolecularWeight: 457.42023

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)OC)OC3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].C[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)OC)OC3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H17F3NO2.H2O4S/c1-24-12-17(14-7-6-8-15(11-14)20(21,22)23)19(25-2)18(13-24)26-16-9-4-3-5-10-16;1-5(2,3)4/h3-13H,1-2H3;(H2,1,2,3,4)/q+1;/p-1