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

Systemtic Name: 3-[[2-(4-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[[2-[(4-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-dipropylazanium Traditional Name: 3-[[2-[(4-chlorophenyl)thio]quinoline-4-carbonyl]amino]propyl-dipropyl-ammonium Formula: C25H31ClN3OS+ MolecularWeight: 457.05114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3OS/c1-3-15-29(16-4-2)17-7-14-27-25(30)22-18-24(28-23-9-6-5-8-21(22)23)31-20-12-10-19(26)11-13-20/h5-6,8-13,18H,3-4,7,14-17H2,1-2H3,(H,27,30)/p+1