4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 4-methoxy-3-(3-methoxyphenyl)-1-methyl-5-phenyl-pyridin-1-ium triflate Formula: C21H20F3NO5S MolecularWeight: 455.44741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO2.CHF3O3S/c1-21-13-18(15-8-5-4-6-9-15)20(23-3)19(14-21)16-10-7-11-17(12-16)22-2;2-1(3,4)8(5,6)7/h4-14H,1-3H3;(H,5,6,7)/q+1;/p-1