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

Systemtic Name: 4-[[4-[(3-chlorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(3-chlorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(3-chlorophenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(3-chlorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(3-chlorobenzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3OS/c21-16-5-3-4-15(12-16)14-26-20-17-6-1-2-7-18(17)22-19(23-20)13-24-8-10-25-11-9-24/h1-7,12H,8-11,13-14H2/p+1