4-[[4-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(5-chloro-2-methoxy-benzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H22ClN3O2S/c1-26-19-7-6-16(22)12-15(19)14-28-21-17-4-2-3-5-18(17)23-20(24-21)13-25-8-10-27-11-9-25/h2-7,12H,8-11,13-14H2,1H3/p+1