4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]butyrate Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H24N4O3/c1-16-7-8-19-18(15-16)22(17-5-3-2-4-6-17)25-23(24-19)27-13-11-26(12-14-27)20(28)9-10-21(29)30/h2-8,15H,9-14H2,1H3,(H,29,30)