2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)OC

InChI

InChI=1S/C21H24N4O4/c1-28-18-11-16-17(12-19(18)29-2)22-20(23-21(16)27)13-24-7-9-25(10-8-24)14-3-5-15(26)6-4-14/h3-6,11-12,26H,7-10,13H2,1-2H3,(H,22,23,27)/p+1