5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; tris(fluoranyl)methanesulfonate Openeye Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole; trifluoromethanesulfonate CAS Name: 5-(4-methoxyphenyl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole; trifluoromethanesulfonate IUPAC Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; trifluoromethanesulfonate Traditional Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole triflate Formula: C17H15F3N2O5S MolecularWeight: 416.37161

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H15N2O2.CHF3O3S/c1-18-9-7-13(8-10-18)16-17-11-15(20-16)12-3-5-14(19-2)6-4-12;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1