1-(phenylmethyl)pyridin-1-ium-3-carbonitrile; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzylpyridin-1-ium-3-carbonitrile; trifluoromethanesulfonate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarbonitrile; trifluoromethanesulfonate IUPAC Name: 1-benzylpyridin-1-ium-3-carbonitrile; trifluoromethanesulfonate Traditional Name: 1-benzylpyridin-1-ium-3-carbonitrile triflate Formula: C14H11F3N2O3S MolecularWeight: 344.30895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N2.CHF3O3S/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12;2-1(3,4)8(5,6)7/h1-8,11H,10H2;(H,5,6,7)/q+1;/p-1