2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-29-21(28)14-2-7-17-18(12-14)22-19(23-20(17)27)13-24-8-10-25(11-9-24)15-3-5-16(26)6-4-15/h2-7,12,26H,8-11,13H2,1H3,(H,22,23,27)