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

Systemtic Name: (2-methoxyphenyl)methyl-[[1-(2-methylpropyl)-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl]azanium Openeye Name: (1-isobutyl-7-methylsulfanyl-2-oxo-3-quinolyl)methyl-[(2-methoxyphenyl)methyl]ammonium CAS Name: (2-methoxyphenyl)methyl-[[1-(2-methylpropyl)-7-(methylthio)-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-[[1-(2-methylpropyl)-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: [1-isobutyl-2-keto-7-(methylthio)-3-quinolyl]methyl-o-anisyl-ammonium Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)C[NH2+]CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)C[NH2+]CC3=CC=CC=C3OC

InChI

InChI=1S/C23H28N2O2S/c1-16(2)15-25-21-12-20(28-4)10-9-17(21)11-19(23(25)26)14-24-13-18-7-5-6-8-22(18)27-3/h5-12,16,24H,13-15H2,1-4H3/p+1