(Z)-4-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (Z)-4-[4-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxo-but-2-enoate CAS Name: (Z)-4-[4-(6-bromo-4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]-4-oxo-2-butenoate IUPAC Name: (Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxobut-2-enoate Traditional Name: (Z)-4-[4-(6-bromo-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-keto-but-2-enoate Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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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=C4)C(=O)C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O3/c23-16-6-7-18-17(14-16)21(15-4-2-1-3-5-15)25-22(24-18)27-12-10-26(11-13-27)19(28)8-9-20(29)30/h1-9,14H,10-13H2,(H,29,30)/b9-8-