[(3S,4R)-4-ethoxy-3-methyl-1-phenyl-azetidin-2-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [(3S,4R)-4-ethoxy-3-methyl-1-phenyl-azetidin-2-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [(3S,4R)-4-ethoxy-3-methyl-1-phenyl-azetidin-2-ylidene]-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: [(3S,4R)-4-ethoxy-3-methyl-1-phenyl-2-azetidinylidene]-dimethylammonium; trifluoromethanesulfonate IUPAC Name: [(3S,4R)-4-ethoxy-3-methyl-1-phenylazetidin-2-ylidene]-dimethylazanium; trifluoromethanesulfonate Traditional Name: [(3S,4R)-4-ethoxy-3-methyl-1-phenyl-azetidin-2-ylidene]-dimethyl-ammonium triflate Formula: C15H21F3N2O4S MolecularWeight: 382.39845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(=[N+](C)C)N1C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCO[C@@H]1[C@H](C(=[N+](C)C)N1C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H21N2O.CHF3O3S/c1-5-17-14-11(2)13(15(3)4)16(14)12-9-7-6-8-10-12;2-1(3,4)8(5,6)7/h6-11,14H,5H2,1-4H3;(H,5,6,7)/q+1;/p-1/t11-,14+;/m0./s1