4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C22H20BrClN4O3 MolecularWeight: 503.7762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31)