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

Systemtic Name: 6-oxidanylidene-1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyridazin-3-olate Openeye Name: 6-oxo-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyridazin-3-olate CAS Name: 6-oxo-1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3-pyridazinolate IUPAC Name: 6-oxo-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]pyridazin-3-olate Traditional Name: 6-keto-1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]pyridazin-3-olate Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O3/c21-13-4-5-14(22)20(17-13)11-15(23)19-9-7-18(8-10-19)12-3-1-2-6-16-12/h1-6H,7-11H2,(H,17,21)