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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[(2-pyrrolidinopyridin-1-ium-4-yl)methylamino]ethyl]phthalazin-1-olate Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H21N5O3/c26-18(13-25-20(28)16-6-2-1-5-15(16)19(27)23-25)22-12-14-7-8-21-17(11-14)24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,22,26)(H,23,27)