4-oxidanylidene-3-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H25N5O4/c26-17(23-7-3-4-8-23)13-22-9-11-24(12-10-22)18(27)14-25-20(29)16-6-2-1-5-15(16)19(28)21-25/h1-2,5-6H,3-4,7-14H2,(H,21,28)