propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-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-(azepan-1-ium-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C15H24N7O3+ MolecularWeight: 350.39616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N7O3/c1-10(2)24-15(23)12-11(9-21-7-5-3-4-6-8-21)22(20-17-12)14-13(16)18-25-19-14/h10H,3-9H2,1-2H3,(H2,16,18)/p+1