4-oxidanylidene-3-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]phthalazin-1-olate Openeye Name: 3-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propyl]-1-phthalazinolate IUPAC Name: 3-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c28-21(12-15-27-23(30)20-9-5-4-8-19(20)22(29)25-27)24-18-10-13-26(14-11-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)(H,25,29)