4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]phthalazin-1-olate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C22H24N4O3/c27-20(15-26-22(29)19-10-4-3-9-18(19)21(28)24-26)23-13-16-7-1-2-8-17(16)14-25-11-5-6-12-25/h1-4,7-10H,5-6,11-15H2,(H,23,27)(H,24,28)