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

Systemtic Name: 2-fluoranyl-1-(phenylmethyl)pyridin-1-ium-3-carbaldehyde; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-2-fluoro-pyridin-1-ium-3-carbaldehyde; trifluoromethanesulfonate CAS Name: 2-fluoro-1-(phenylmethyl)-3-pyridin-1-iumcarboxaldehyde; trifluoromethanesulfonate IUPAC Name: 1-benzyl-2-fluoropyridin-1-ium-3-carbaldehyde; trifluoromethanesulfonate Traditional Name: 1-benzyl-2-fluoro-pyridin-1-ium-3-carbaldehyde triflate Formula: C14H11F4NO4S MolecularWeight: 365.300053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2F)C=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2F)C=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H11FNO.CHF3O3S/c14-13-12(10-16)7-4-8-15(13)9-11-5-2-1-3-6-11;2-1(3,4)8(5,6)7/h1-8,10H,9H2;(H,5,6,7)/q+1;/p-1