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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidin-1-iumylmethyl)-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)triazole-4-carboxylate Formula: C10H13N7O3 MolecularWeight: 279.25532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

InChI

InChI=1S/C10H13N7O3/c11-8-9(14-20-13-8)17-6(5-16-3-1-2-4-16)7(10(18)19)12-15-17/h1-5H2,(H2,11,13)(H,18,19)