1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-piperidin-1-iumylmethyl)-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(piperidin-1-ium-1-ylmethyl)triazole-4-carboxylate Formula: C11H15N7O3 MolecularWeight: 293.2819

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

InChI

InChI=1S/C11H15N7O3/c12-9-10(15-21-14-9)18-7(8(11(19)20)13-16-18)6-17-4-2-1-3-5-17/h1-6H2,(H2,12,14)(H,19,20)