methyl 4-[[2-[(3-oxidanylidene-4-phenyl-piperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl 4-[[2-[(3-oxidanylidene-4-phenyl-piperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl 4-[[2-[(3-oxo-4-phenyl-piperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[(3-oxo-4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-oxo-4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[(3-keto-4-phenyl-piperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-32-23(31)12-7-13-25-24-19-10-5-6-11-20(19)26-21(27-24)16-28-14-15-29(22(30)17-28)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,25,26,27)/p+1