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

Systemtic Name: 3-[[2-(4-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-cyclohexyl-methyl-azanium Openeye Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium CAS Name: 3-[[[2-[(4-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-cyclohexyl-methylammonium IUPAC Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-cyclohexyl-methylazanium Traditional Name: 3-[[2-[(4-chlorophenyl)thio]quinoline-4-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium Formula: C26H31ClN3OS+ MolecularWeight: 469.06184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl)C4CCCCC4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl)C4CCCCC4

InChI

InChI=1S/C26H30ClN3OS/c1-30(20-8-3-2-4-9-20)17-7-16-28-26(31)23-18-25(29-24-11-6-5-10-22(23)24)32-21-14-12-19(27)13-15-21/h5-6,10-15,18,20H,2-4,7-9,16-17H2,1H3,(H,28,31)/p+1