(4-ethoxycarbonylphenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-ethoxycarbonylphenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-ethoxycarbonylphenyl)-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: (4-ethoxycarbonylphenyl)-trimethylammonium; trifluoromethanesulfonate IUPAC Name: (4-ethoxycarbonylphenyl)-trimethylazanium; trifluoromethanesulfonate Traditional Name: (4-carbethoxyphenyl)-trimethyl-ammonium triflate Formula: C13H18F3NO5S MolecularWeight: 357.34593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H18NO2.CHF3O3S/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4;2-1(3,4)8(5,6)7/h6-9H,5H2,1-4H3;(H,5,6,7)/q+1;/p-1