2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1H-pyridazine-3,6-quinone Formula: C15H18N5O3+ MolecularWeight: 316.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1