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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 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-triazolecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C12H18N7O3+ MolecularWeight: 308.31642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCCC3

InChI

InChI=1S/C12H17N7O3/c1-21-12(20)9-8(7-18-5-3-2-4-6-18)19(17-14-9)11-10(13)15-22-16-11/h2-7H2,1H3,(H2,13,15)/p+1