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

Systemtic Name: propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C14H22N7O3+ MolecularWeight: 336.36958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N7O3/c1-9(2)23-14(22)11-10(8-20-6-4-3-5-7-20)21(19-16-11)13-12(15)17-24-18-13/h9H,3-8H2,1-2H3,(H2,15,17)/p+1