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

Systemtic Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenyl-pyridin-1-ium triflate Formula: C20H17BrF3NO4S MolecularWeight: 504.31749

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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)Br.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)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17BrNO.CHF3O3S/c1-21-12-17(14-7-4-3-5-8-14)19(22-2)18(13-21)15-9-6-10-16(20)11-15;2-1(3,4)8(5,6)7/h3-13H,1-2H3;(H,5,6,7)/q+1;/p-1