4-oxidanylidene-3-[2-oxidanylidene-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]phthalazin-1-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H24N4O3/c1-12(2)21-9-7-13(8-10-21)19-16(23)11-22-18(25)15-6-4-3-5-14(15)17(24)20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H,20,24)