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

Systemtic Name: diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]propyl]ammonium Formula: C23H27FN3OS+ MolecularWeight: 412.543383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3OS/c1-3-27(4-2)15-7-14-25-23(28)20-16-22(26-21-9-6-5-8-19(20)21)29-18-12-10-17(24)11-13-18/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,25,28)/p+1