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

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

Systemtic Name:4-oxidanylidene-3-[3-oxidanylidene-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]phthalazin-1-olate
Openeye Name:4-oxo-3-[3-oxo-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]phthalazin-1-olate
CAS Name:4-oxo-3-[3-oxo-3-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]propyl]-1-phthalazinolate
IUPAC Name:4-oxo-3-[3-oxo-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]phthalazin-1-olate
Traditional Name:4-keto-3-[3-keto-3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]propyl]phthalazin-1-olate
Formula: C23H32N4O3
MolecularWeight: 412.52518
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])[NH+]4CCCCC4


Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-])[NH+]4CCCCC4


InChI

InChI=1S/C23H32N4O3/c28-20(11-16-27-22(30)19-10-4-3-9-18(19)21(29)25-27)24-17-23(12-5-1-6-13-23)26-14-7-2-8-15-26/h3-4,9-10H,1-2,5-8,11-17H2,(H,24,28)(H,25,29)


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