dimethyl (1-methylquinolin-1-ium-8-yl) phosphate; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl (1-methylquinolin-1-ium-8-yl) phosphate; tris(fluoranyl)methanesulfonate Openeye Name: dimethyl (1-methylquinolin-1-ium-8-yl) phosphate; trifluoromethanesulfonate CAS Name: phosphoric acid dimethyl (1-methyl-8-quinolin-1-iumyl) ester; trifluoromethanesulfonate IUPAC Name: dimethyl (1-methylquinolin-1-ium-8-yl) phosphate; trifluoromethanesulfonate Traditional Name: phosphoric acid dimethyl (1-methylquinolin-1-ium-8-yl) ester triflate Formula: C13H15F3NO7PS MolecularWeight: 417.294671

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C(=CC=C2)OP(=O)(OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C(=CC=C2)OP(=O)(OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO4P.CHF3O3S/c1-13-9-5-7-10-6-4-8-11(12(10)13)17-18(14,15-2)16-3;2-1(3,4)8(5,6)7/h4-9H,1-3H3;(H,5,6,7)/q+1;/p-1