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

Systemtic Name: 3-[[2-(2-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(2-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[2-[(2-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-(2-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-[(2-chlorophenyl)thio]quinoline-4-carbonyl]amino]propyl-diethyl-ammonium Formula: C23H27ClN3OS+ MolecularWeight: 428.99798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3Cl

InChI

InChI=1S/C23H26ClN3OS/c1-3-27(4-2)15-9-14-25-23(28)18-16-22(26-20-12-7-5-10-17(18)20)29-21-13-8-6-11-19(21)24/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3,(H,25,28)/p+1