(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-(2-methoxyethyl)-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-(2-methoxyethyl)-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-chloro-7-(methylthio)-3-quinolinyl]methyl-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl-(2-methoxyethyl)-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-chloro-7-(methylthio)-3-quinolyl]methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-(2-methoxyethyl)ammonium Formula: C23H24ClN4O2S+ MolecularWeight: 455.98026

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COCC[NH+](CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H23ClN4O2S/c1-30-10-9-28(14-21-25-19-6-4-3-5-18(19)23(29)27-21)13-16-11-15-7-8-17(31-2)12-20(15)26-22(16)24/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,25,27,29)/p+1