methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate; trifluoromethanesulfonate CAS Name: 2-phenyl-2-(1-pyridin-1-iumyl)butanoic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 2-phenyl-2-pyridin-1-ium-1-ylbutanoate; trifluoromethanesulfonate Traditional Name: 2-phenyl-2-pyridin-1-ium-1-yl-butyric acid methyl ester triflate Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)OC)[N+]2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)OC)[N+]2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18NO2.CHF3O3S/c1-3-16(15(18)19-2,14-10-6-4-7-11-14)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-13H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1