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

Systemtic Name: [(3S,4R)-1-(diphenylmethyl)-4-methyl-3-phenyl-azetidin-2-ylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [(3S,4R)-1-benzhydryl-4-methyl-3-phenyl-azetidin-2-ylidene]-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: [(3S,4R)-1-(diphenylmethyl)-4-methyl-3-phenyl-2-azetidinylidene]-dimethylammonium; trifluoromethanesulfonate IUPAC Name: [(3S,4R)-1-benzhydryl-4-methyl-3-phenylazetidin-2-ylidene]-dimethylazanium; trifluoromethanesulfonate Traditional Name: [(3S,4R)-1-benzhydryl-4-methyl-3-phenyl-azetidin-2-ylidene]-dimethyl-ammonium triflate Formula: C26H27F3N2O3S MolecularWeight: 504.56439

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=[N+](C)C)N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[C@@H]1[C@@H](C(=[N+](C)C)N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H27N2.CHF3O3S/c1-19-23(20-13-7-4-8-14-20)25(26(2)3)27(19)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22;2-1(3,4)8(5,6)7/h4-19,23-24H,1-3H3;(H,5,6,7)/q+1;/p-1/t19-,23-;/m1./s1