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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]phthalazin-1-olate Formula: C19H19N5O3 MolecularWeight: 365.38586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3/c25-17(23-11-9-22(10-12-23)16-7-3-4-8-20-16)13-24-19(27)15-6-2-1-5-14(15)18(26)21-24/h1-8H,9-13H2,(H,21,26)