4-[[4-[(2-chloranylquinolin-3-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2-chloranylquinolin-3-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(2-chloro-3-quinolyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2-chloro-3-quinolinyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2-chloroquinolin-3-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2-chloro-3-quinolyl)methylthio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C23H22ClN4OS+ MolecularWeight: 437.96498

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C23H21ClN4OS/c24-22-17(13-16-5-1-3-7-19(16)26-22)15-30-23-18-6-2-4-8-20(18)25-21(27-23)14-28-9-11-29-12-10-28/h1-8,13H,9-12,14-15H2/p+1