N-ethoxysulfanyl-N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)methanamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-ethoxysulfanyl-N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)methanamide; tris(fluoranyl)methanesulfonate Openeye Name: N-ethoxysulfanyl-N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)formamide; trifluoromethanesulfonate CAS Name: N-(ethoxythio)-N-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)formamide; trifluoromethanesulfonate IUPAC Name: N-ethoxysulfanyl-N-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)formamide; trifluoromethanesulfonate Traditional Name: N-(ethoxythio)-N-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)formamide triflate Formula: C17H17F3N2O5S2 MolecularWeight: 450.45249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N2O2S.CHF3O3S/c1-4-10-17-13(3)6-7-14-11-15(8-9-16(14)17)18(12-19)21-20-5-2;2-1(3,4)8(5,6)7/h1,6-9,11-12H,5,10H2,2-3H3;(H,5,6,7)/q+1;/p-1