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

Systemtic Name: 3-methyl-1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-3-methyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 3-methyl-1-(phenylmethyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-benzyl-3-methylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-benzyl-3-methyl-pyridin-1-ium triflate Formula: C14H14F3NO3S MolecularWeight: 333.32607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N.CHF3O3S/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;2-1(3,4)8(5,6)7/h2-10H,11H2,1H3;(H,5,6,7)/q+1;/p-1