[1-(2-methylpropyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-[(1-morpholin-4-ylcyclohexyl)methyl]azanium

Systemtic Name: [1-(2-methylpropyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-[(1-morpholin-4-ylcyclohexyl)methyl]azanium Openeye Name: (1-isobutyl-7-methylsulfanyl-2-oxo-3-quinolyl)methyl-[(1-morpholinocyclohexyl)methyl]ammonium CAS Name: [1-(2-methylpropyl)-7-(methylthio)-2-oxo-3-quinolinyl]methyl-[[1-(4-morpholinyl)cyclohexyl]methyl]ammonium IUPAC Name: [1-(2-methylpropyl)-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl-[(1-morpholin-4-ylcyclohexyl)methyl]azanium Traditional Name: [1-isobutyl-2-keto-7-(methylthio)-3-quinolyl]methyl-[(1-morpholinocyclohexyl)methyl]ammonium Formula: C26H40N3O2S+ MolecularWeight: 458.6797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)C[NH2+]CC3(CCCCC3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)C[NH2+]CC3(CCCCC3)N4CCOCC4

InChI

InChI=1S/C26H39N3O2S/c1-20(2)18-29-24-16-23(32-3)8-7-21(24)15-22(25(29)30)17-27-19-26(9-5-4-6-10-26)28-11-13-31-14-12-28/h7-8,15-16,20,27H,4-6,9-14,17-19H2,1-3H3/p+1