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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3OS/c1-3-5-16-29(4-2)17-8-15-27-25(30)22-18-24(28-23-10-7-6-9-21(22)23)31-20-13-11-19(26)12-14-20/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3,(H,27,30)/p+1