4-oxidanylidene-3-[2-oxidanylidene-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]ethyl]phthalazin-1-olate Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H21N5O5/c27-18(25-11-9-24(10-12-25)17-7-3-4-8-22-17)14-31-19(28)13-26-21(30)16-6-2-1-5-15(16)20(29)23-26/h1-8H,9-14H2,(H,23,29)