methyl 4-[[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl 4-[[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl 4-[[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C24H29N5O3/c1-32-23(31)7-4-12-25-24-20-5-2-3-6-21(20)26-22(27-24)17-28-13-15-29(16-14-28)18-8-10-19(30)11-9-18/h2-3,5-6,8-11,30H,4,7,12-17H2,1H3,(H,25,26,27)/p+1