4-[[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C21H21BrN3O3S+ MolecularWeight: 475.37874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C21H20BrN3O3S/c22-16-10-19-18(27-13-28-19)9-14(16)12-29-21-15-3-1-2-4-17(15)23-20(24-21)11-25-5-7-26-8-6-25/h1-4,9-10H,5-8,11-13H2/p+1