6-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[oxo-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]methyl]-3-pyridazinolate IUPAC Name: 6-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]pyridazin-3-olate Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=NN=C(C=C2)[O-])[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=NN=C(C=C2)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C17H26N4O2/c22-15-8-7-14(19-20-15)16(23)18-13-17(9-3-1-4-10-17)21-11-5-2-6-12-21/h7-8H,1-6,9-13H2,(H,18,23)(H,20,22)