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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]phthalazin-1-olate Openeye Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-1-phthalazinolate IUPAC Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c27-20(15-26-22(29)19-9-5-4-8-18(19)21(28)24-26)23-17-10-12-25(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,28)