4-[[4-[2-(2-chloranylphenoxy)ethylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[2-(2-chloranylphenoxy)ethylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[2-(2-chlorophenoxy)ethylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[2-(2-chlorophenoxy)ethylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[2-(2-chlorophenoxy)ethylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[2-(2-chlorophenoxy)ethylthio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCCOC4=CC=CC=C4Cl

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-17-6-2-4-8-19(17)27-13-14-28-21-16-5-1-3-7-18(16)23-20(24-21)15-25-9-11-26-12-10-25/h1-8H,9-15H2/p+1