[(dibutylamino)-(diethylamino)methylidene]-dihexyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [(dibutylamino)-(diethylamino)methylidene]-dihexyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [(dibutylamino)-(diethylamino)methylene]-dihexyl-ammonium; trifluoromethanesulfonate CAS Name: [(dibutylamino)-(diethylamino)methylidene]-dihexylammonium; trifluoromethanesulfonate IUPAC Name: [(dibutylamino)-(diethylamino)methylidene]-dihexylazanium; trifluoromethanesulfonate Traditional Name: [(dibutylamino)-(diethylamino)methylene]-dihexyl-ammonium triflate Formula: C26H54F3N3O3S MolecularWeight: 545.78547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](=C(N(CC)CC)N(CCCC)CCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+](=C(N(CC)CC)N(CCCC)CCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H54N3.CHF3O3S/c1-7-13-17-19-23-28(24-20-18-14-8-2)25(26(11-5)12-6)27(21-15-9-3)22-16-10-4;2-1(3,4)8(5,6)7/h7-24H2,1-6H3;(H,5,6,7)/q+1;/p-1