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

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzylpyridin-1-ium-3-carboxamide; trifluoromethanesulfonate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 1-benzylpyridin-1-ium-3-carboxamide; trifluoromethanesulfonate Traditional Name: 1-benzylpyridin-1-ium-3-carboxamide triflate Formula: C14H13F3N2O4S MolecularWeight: 362.32423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O.CHF3O3S/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;2-1(3,4)8(5,6)7/h1-8,10H,9H2,(H-,14,16);(H,5,6,7)