4-oxidanylidene-3-[2-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(3-piperidin-1-ium-1-ylpropylamino)ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[3-(1-piperidin-1-iumyl)propylamino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-(3-piperidin-1-ium-1-ylpropylamino)ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-(3-piperidin-1-ium-1-ylpropylamino)ethyl]phthalazin-1-olate Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H24N4O3/c23-16(19-9-6-12-21-10-4-1-5-11-21)13-22-18(25)15-8-3-2-7-14(15)17(24)20-22/h2-3,7-8H,1,4-6,9-13H2,(H,19,23)(H,20,24)