O-butyl N-(10-methylacridin-10-ium-9-yl)carbamothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-butyl N-(10-methylacridin-10-ium-9-yl)carbamothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-butyl N-(10-methylacridin-10-ium-9-yl)carbamothioate; trifluoromethanesulfonate CAS Name: N-(10-methyl-9-acridin-10-iumyl)carbamothioic acid O-butyl ester; trifluoromethanesulfonate IUPAC Name: O-butyl N-(10-methylacridin-10-ium-9-yl)carbamothioate; trifluoromethanesulfonate Traditional Name: N-(10-methylacridin-10-ium-9-yl)thiocarbamic acid O-butyl ester triflate Formula: C20H21F3N2O4S2 MolecularWeight: 474.51695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=S)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC(=S)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H20N2OS.CHF3O3S/c1-3-4-13-22-19(23)20-18-14-9-5-7-11-16(14)21(2)17-12-8-6-10-15(17)18;2-1(3,4)8(5,6)7/h5-12H,3-4,13H2,1-2H3;(H,5,6,7)