3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-olate Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H22N4O3/c1-27-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-24-20(26)18-5-3-2-4-17(18)19(25)21-24/h2-9H,10-14H2,1H3,(H,21,25)