6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]-3-pyridazinolate IUPAC Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]pyridazin-3-olate Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C18H22N4O2/c23-17-9-8-16(20-21-17)18(24)19-12-14-4-6-15(7-5-14)13-22-10-2-1-3-11-22/h4-9H,1-3,10-13H2,(H,19,24)(H,21,23)