3-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methylamino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methylamino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methylamino]ethyl]phthalazin-1-olate Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H24N6O3/c1-25-8-10-26(11-9-25)18-7-6-15(12-22-18)13-23-19(28)14-27-21(30)17-5-3-2-4-16(17)20(29)24-27/h2-7,12H,8-11,13-14H2,1H3,(H,23,28)(H,24,29)