4-oxidanylidene-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butanoate Openeye Name: 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butanoate CAS Name: 4-oxo-4-[4-(4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butanoate Traditional Name: 4-keto-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butyrate Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H22N4O3/c27-19(10-11-20(28)29)25-12-14-26(15-13-25)22-23-18-9-5-4-8-17(18)21(24-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,28,29)