1-[6-[2-(furan-2-ylcarbonyl)-1H-imidazol-3-ium-3-yl]pyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-[2-(furan-2-ylcarbonyl)-1H-imidazol-3-ium-3-yl]pyridazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-[2-(furan-2-carbonyl)-1H-imidazol-3-ium-3-yl]pyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-[2-furanyl(oxo)methyl]-1H-imidazol-3-ium-3-yl]-3-pyridazinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-[2-(furan-2-carbonyl)-1H-imidazol-3-ium-3-yl]pyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-(2-furoyl)-1H-imidazol-3-ium-3-yl]pyridazin-3-yl]isonipecotate Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NN=C(C=C2)[N+]3=C(NC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NN=C(C=C2)[N+]3=C(NC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H17N5O4/c24-16(13-2-1-11-27-13)17-19-7-10-23(17)15-4-3-14(20-21-15)22-8-5-12(6-9-22)18(25)26/h1-4,7,10-12H,5-6,8-9H2,(H,25,26)