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

Systemtic Name: ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ium-1-ylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepan-1-iumylmethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ium-1-ylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(azepan-1-ium-1-ylmethyl)triazole-4-carboxylic acid ethyl ester Formula: C14H22N7O3+ MolecularWeight: 336.36958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C[NH+]3CCCCCC3

InChI

InChI=1S/C14H21N7O3/c1-2-23-14(22)11-10(9-20-7-5-3-4-6-8-20)21(19-16-11)13-12(15)17-24-18-13/h2-9H2,1H3,(H2,15,17)/p+1