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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]phthalazine-1-carboxamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c24-22(30)21-18-9-3-4-10-19(18)23(31)28(26-21)15-20(29)25-13-16-7-1-2-8-17(16)14-27-11-5-6-12-27/h1-4,7-10H,5-6,11-15H2,(H2,24,30)(H,25,29)/p+1