1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dibutylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dibutylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylammonio)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylammonio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylazaniumyl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(dibutylammonio)methyl]triazole-4-carboxylate Formula: C14H23N7O3 MolecularWeight: 337.37752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(N=NN1C2=NON=C2N)C(=O)[O-]

InChI

InChI=1S/C14H23N7O3/c1-3-5-7-20(8-6-4-2)9-10-11(14(22)23)16-19-21(10)13-12(15)17-24-18-13/h3-9H2,1-2H3,(H2,15,17)(H,22,23)