[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxidanylidene-quinolin-3-yl]methyl-(2-methoxyethyl)azanium Openeye Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxo-3-quinolyl]methyl-(2-methoxyethyl)ammonium CAS Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-(methylthio)-2-oxo-3-quinolinyl]methyl-(2-methoxyethyl)ammonium IUPAC Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-2-oxoquinolin-3-yl]methyl-(2-methoxyethyl)azanium Traditional Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-keto-7-(methylthio)-3-quinolyl]methyl-(2-methoxyethyl)ammonium Formula: C22H24ClN2O4S+ MolecularWeight: 447.95496

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CC2=C(C=C(C=C2)SC)N(C1=O)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

COCC[NH2+]CC1=CC2=C(C=C(C=C2)SC)N(C1=O)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H23ClN2O4S/c1-27-6-5-24-11-15-7-14-3-4-17(30-2)9-19(14)25(22(15)26)12-16-8-20-21(10-18(16)23)29-13-28-20/h3-4,7-10,24H,5-6,11-13H2,1-2H3/p+1