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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]triazole-4-carboxylate Formula: C12H17N7O3 MolecularWeight: 307.30848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

InChI

InChI=1S/C12H17N7O3/c1-7-2-4-18(5-3-7)6-8-9(12(20)21)14-17-19(8)11-10(13)15-22-16-11/h7H,2-6H2,1H3,(H2,13,15)(H,20,21)