2-[[2-(3-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(3-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(3-chlorophenyl)thio]quinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-24(2)11-10-22-20(25)17-13-19(23-18-9-4-3-8-16(17)18)26-15-7-5-6-14(21)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)/p+1