1-tert-butyl-3-(2,3-dihydro-1H-inden-5-yl)imidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-tert-butyl-3-(2,3-dihydro-1H-inden-5-yl)imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-tert-butyl-3-indan-5-yl-imidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-tert-butyl-3-(2,3-dihydro-1H-inden-5-yl)imidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-tert-butyl-3-(2,3-dihydro-1H-inden-5-yl)imidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-tert-butyl-3-indan-5-yl-imidazol-1-ium triflate Formula: C17H21F3N2O3S MolecularWeight: 390.42045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CN(C=C1)C2=CC3=C(CCC3)C=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)[N+]1=CN(C=C1)C2=CC3=C(CCC3)C=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H21N2.CHF3O3S/c1-16(2,3)18-10-9-17(12-18)15-8-7-13-5-4-6-14(13)11-15;2-1(3,4)8(5,6)7/h7-12H,4-6H2,1-3H3;(H,5,6,7)/q+1;/p-1