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

Systemtic Name: 3-[[2-(4-chlorophenyl)sulfanylquinolin-4-yl]carbonylamino]propyl-bis(2-methylpropyl)azanium Openeye Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-diisobutyl-ammonium CAS Name: 3-[[[2-[(4-chlorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]propyl-bis(2-methylpropyl)ammonium IUPAC Name: 3-[[2-(4-chlorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl-bis(2-methylpropyl)azanium Traditional Name: 3-[[2-[(4-chlorophenyl)thio]quinoline-4-carbonyl]amino]propyl-diisobutyl-ammonium Formula: C27H35ClN3OS+ MolecularWeight: 485.1043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN3OS/c1-19(2)17-31(18-20(3)4)15-7-14-29-27(32)24-16-26(30-25-9-6-5-8-23(24)25)33-22-12-10-21(28)11-13-22/h5-6,8-13,16,19-20H,7,14-15,17-18H2,1-4H3,(H,29,32)/p+1