O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate; trifluoromethanesulfonate CAS Name: N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-6-quinolin-1-iumyl]carbamothioic acid O-ethyl ester; trifluoromethanesulfonate IUPAC Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynylquinolin-1-ium-6-yl]carbamothioate; trifluoromethanesulfonate Traditional Name: N-[2-(2-methylprop-1-enyl)-1-propargyl-quinolin-1-ium-6-yl]thiocarbamic acid O-ethyl ester triflate Formula: C20H21F3N2O4S2 MolecularWeight: 474.51695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC2=C(C=C1)[N+](=C(C=C2)C=C(C)C)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=S)NC1=CC2=C(C=C1)[N+](=C(C=C2)C=C(C)C)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H20N2OS.CHF3O3S/c1-5-11-21-17(12-14(3)4)9-7-15-13-16(8-10-18(15)21)20-19(23)22-6-2;2-1(3,4)8(5,6)7/h1,7-10,12-13H,6,11H2,2-4H3;(H,5,6,7)