1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one; tris(fluoranyl)methanesulfonate Openeye Name: 1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one; trifluoromethanesulfonate CAS Name: 1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one; trifluoromethanesulfonate IUPAC Name: 1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one; trifluoromethanesulfonate Traditional Name: 1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium-6-one ditriflate Formula: C11H20F6N2O7S2 MolecularWeight: 470.406119

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC(=O)C1)(C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CC[N+](CC(=O)C1)(C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H20N2O.2CHF3O3S/c1-10(2)5-6-11(3,4)8-9(12)7-10;2*2-1(3,4)8(5,6)7/h5-8H2,1-4H3;2*(H,5,6,7)/q+2;;/p-2