(phenylmethyl) 1,3-dimethylimidazol-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (phenylmethyl) 1,3-dimethylimidazol-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: benzyl 1,3-dimethylimidazol-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1,3-dimethyl-2-imidazol-1-iumcarboxylic acid (phenylmethyl) ester; trifluoromethanesulfonate IUPAC Name: benzyl 1,3-dimethylimidazol-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1,3-dimethylimidazol-1-ium-2-carboxylic acid benzyl ester triflate Formula: C14H15F3N2O5S MolecularWeight: 380.33951

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C(=O)OCC2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C[N+](=C1C(=O)OCC2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H15N2O2.CHF3O3S/c1-14-8-9-15(2)12(14)13(16)17-10-11-6-4-3-5-7-11;2-1(3,4)8(5,6)7/h3-9H,10H2,1-2H3;(H,5,6,7)/q+1;/p-1