6,8-bis(bromanyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 6,8-bis(bromanyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C19H17Br2FN4O MolecularWeight: 496.170883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br)C4=CC=CC=C4F

InChI

InChI=1S/C19H17Br2FN4O/c20-12-9-13-18(14(21)10-12)23-17(24-19(13)27)11-25-5-7-26(8-6-25)16-4-2-1-3-15(16)22/h1-4,9-10H,5-8,11H2,(H,23,24,27)