(phenylmethyl) 3-methyl-4,5-dihydroimidazol-3-ium-1-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (phenylmethyl) 3-methyl-4,5-dihydroimidazol-3-ium-1-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: benzyl 3-methyl-4,5-dihydroimidazol-3-ium-1-carboxylate; trifluoromethanesulfonate CAS Name: 3-methyl-4,5-dihydroimidazol-3-ium-1-carboxylic acid (phenylmethyl) ester; trifluoromethanesulfonate IUPAC Name: benzyl 3-methyl-4,5-dihydroimidazol-3-ium-1-carboxylate; trifluoromethanesulfonate Traditional Name: 3-methyl-2-imidazolin-3-ium-1-carboxylic acid benzyl ester triflate Formula: C13H15F3N2O5S MolecularWeight: 368.32881

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(CC1)C(=O)OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(CC1)C(=O)OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15N2O2.CHF3O3S/c1-13-7-8-14(10-13)12(15)16-9-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-6,10H,7-9H2,1H3;(H,5,6,7)/q+1;/p-1