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

Systemtic Name: butyl-[3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl]-methyl-azanium Openeye Name: butyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl]-methylammonium IUPAC Name: butyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]-methylazanium Traditional Name: butyl-[3-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C24H29FN3OS+ MolecularWeight: 426.569963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28FN3OS/c1-3-4-15-28(2)16-7-14-26-24(29)21-17-23(27-22-9-6-5-8-20(21)22)30-19-12-10-18(25)11-13-19/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,26,29)/p+1