O-ethyl N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)carbamothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-ethyl N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)carbamothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-ethyl N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)carbamothioate; trifluoromethanesulfonate CAS Name: N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)carbamothioic acid O-ethyl ester; trifluoromethanesulfonate IUPAC Name: O-ethyl N-(10-prop-2-ynyl-7,8-dihydroacridin-10-ium-2-yl)carbamothioate; trifluoromethanesulfonate Traditional Name: N-(10-propargyl-7,8-dihydroacridin-10-ium-2-yl)thiocarbamic acid O-ethyl ester triflate Formula: C20H19F3N2O4S2 MolecularWeight: 472.50107

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC2=CC3=C(C=CCC3)[N+](=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=S)NC1=CC2=CC3=C(C=CCC3)[N+](=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H18N2OS.CHF3O3S/c1-3-11-21-17-8-6-5-7-14(17)12-15-13-16(9-10-18(15)21)20-19(23)22-4-2;2-1(3,4)8(5,6)7/h1,6,8-10,12-13H,4-5,7,11H2,2H3;(H,5,6,7)