(1-cyano-2-phenyl-propyl)-(2-ethoxy-2-oxidanylidene-ethyl)-dimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (1-cyano-2-phenyl-propyl)-(2-ethoxy-2-oxidanylidene-ethyl)-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: (1-cyano-2-phenyl-propyl)-(2-ethoxy-2-oxo-ethyl)-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: (1-cyano-2-phenylpropyl)-(2-ethoxy-2-oxoethyl)-dimethylammonium; trifluoromethanesulfonate IUPAC Name: (1-cyano-2-phenylpropyl)-(2-ethoxy-2-oxoethyl)-dimethylazanium; trifluoromethanesulfonate Traditional Name: (1-cyano-2-phenyl-propyl)-(2-ethoxy-2-keto-ethyl)-dimethyl-ammonium triflate Formula: C17H23F3N2O5S MolecularWeight: 424.43513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N2O2.CHF3O3S/c1-5-20-16(19)12-18(3,4)15(11-17)13(2)14-9-7-6-8-10-14;2-1(3,4)8(5,6)7/h6-10,13,15H,5,12H2,1-4H3;(H,5,6,7)/q+1;/p-1