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

Systemtic Name: methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 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-triazolecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C11H16N7O3+ MolecularWeight: 294.28984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCC3

InChI

InChI=1S/C11H15N7O3/c1-20-11(19)8-7(6-17-4-2-3-5-17)18(16-13-8)10-9(12)14-21-15-10/h2-6H2,1H3,(H2,12,14)/p+1