(3-oxidanylidene-3-piperidin-1-yl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-oxidanylidene-3-piperidin-1-yl-prop-1-ynyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-oxo-3-(1-piperidyl)prop-1-ynyl]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [3-oxo-3-(1-piperidinyl)prop-1-ynyl]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (3-oxo-3-piperidin-1-ylprop-1-ynyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (3-keto-3-piperidino-prop-1-ynyl)-phenyl-iodonium triflate Formula: C15H15F3INO4S MolecularWeight: 489.24858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15INO.CHF3O3S/c17-14(16-11-5-2-6-12-16)9-10-15-13-7-3-1-4-8-13;2-1(3,4)8(5,6)7/h1,3-4,7-8H,2,5-6,11-12H2;(H,5,6,7)/q+1;/p-1