N-(4-chlorophenyl)-N,2,3-trimethyl-imidazol-3-ium-1-sulfonamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-(4-chlorophenyl)-N,2,3-trimethyl-imidazol-3-ium-1-sulfonamide; tris(fluoranyl)methanesulfonate Openeye Name: N-(4-chlorophenyl)-N,2,3-trimethyl-imidazol-3-ium-1-sulfonamide; trifluoromethanesulfonate CAS Name: N-(4-chlorophenyl)-N,2,3-trimethyl-1-imidazol-3-iumsulfonamide; trifluoromethanesulfonate IUPAC Name: N-(4-chlorophenyl)-N,2,3-trimethylimidazol-3-ium-1-sulfonamide; trifluoromethanesulfonate Traditional Name: N-(4-chlorophenyl)-N,2,3-trimethyl-imidazol-3-ium-1-sulfonamide triflate Formula: C13H15ClF3N3O5S2 MolecularWeight: 449.85351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1S(=O)(=O)N(C)C2=CC=C(C=C2)Cl)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1S(=O)(=O)N(C)C2=CC=C(C=C2)Cl)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15ClN3O2S.CHF3O3S/c1-10-14(2)8-9-16(10)19(17,18)15(3)12-6-4-11(13)5-7-12;2-1(3,4)8(5,6)7/h4-9H,1-3H3;(H,5,6,7)/q+1;/p-1