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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dimethylazaniumyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylazaniumyl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(dimethylammonio)methyl]triazole-4-carboxylate Formula: C8H11N7O3 MolecularWeight: 253.21804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N7O3/c1-14(2)3-4-5(8(16)17)10-13-15(4)7-6(9)11-18-12-7/h3H2,1-2H3,(H2,9,11)(H,16,17)