2,2-dimethyl-1-(4-phenylpyridin-1-ium-1-yl)propan-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,2-dimethyl-1-(4-phenylpyridin-1-ium-1-yl)propan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 2,2-dimethyl-1-(4-phenylpyridin-1-ium-1-yl)propan-1-one; trifluoromethanesulfonate CAS Name: 2,2-dimethyl-1-(4-phenyl-1-pyridin-1-iumyl)-1-propanone; trifluoromethanesulfonate IUPAC Name: 2,2-dimethyl-1-(4-phenylpyridin-1-ium-1-yl)propan-1-one; trifluoromethanesulfonate Traditional Name: 2,2-dimethyl-1-(4-phenylpyridin-1-ium-1-yl)propan-1-one triflate Formula: C17H18F3NO4S MolecularWeight: 389.38933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO.CHF3O3S/c1-16(2,3)15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1