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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl]phthalazin-1-olate Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O3/c27-19(15-26-21(29)18-10-4-3-9-17(18)20(28)24-26)23-16-22(11-5-1-6-12-22)25-13-7-2-8-14-25/h3-4,9-10H,1-2,5-8,11-16H2,(H,23,27)(H,24,28)