(4-cyano-2-iodanyl-phenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-cyano-2-iodanyl-phenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-cyano-2-iodo-phenyl)-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: (4-cyano-2-iodophenyl)-trimethylammonium; trifluoromethanesulfonate IUPAC Name: (4-cyano-2-iodophenyl)-trimethylazanium; trifluoromethanesulfonate Traditional Name: (4-cyano-2-iodo-phenyl)-trimethyl-ammonium triflate Formula: C11H12F3IN2O3S MolecularWeight: 436.18926

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=C(C=C(C=C1)C#N)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=C(C=C(C=C1)C#N)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12IN2.CHF3O3S/c1-13(2,3)10-5-4-8(7-12)6-9(10)11;2-1(3,4)8(5,6)7/h4-6H,1-3H3;(H,5,6,7)/q+1;/p-1