1-methyl-N-phenyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-N-phenyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-N-phenyl-pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: 1-methyl-N-phenyl-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-methyl-N-phenylpyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: (1-methylpyridin-1-ium-4-yl)-phenyl-amine triflate Formula: C13H13F3N2O3S MolecularWeight: 334.31413

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2.CHF3O3S/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)