3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-25(2)13-5-12-23-21(26)18-14-20(24-19-7-4-3-6-17(18)19)27-16-10-8-15(22)9-11-16/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,26)/p+1