2-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H21FN3OS+ MolecularWeight: 370.463643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3OS/c1-24(2)12-11-22-20(25)17-13-19(23-18-6-4-3-5-16(17)18)26-15-9-7-14(21)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)/p+1