[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]methyl-dibutyl-azanium

Systemtic Name: [3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]methyl-dibutyl-azanium Openeye Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyl-triazol-4-yl]methyl-dibutyl-ammonium CAS Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyl-4-triazolyl]methyl-dibutylammonium IUPAC Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl-dibutylazanium Traditional Name: [3-(4-aminofurazan-3-yl)-5-carbethoxy-triazol-4-yl]methyl-dibutyl-ammonium Formula: C16H28N7O3+ MolecularWeight: 366.43862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(N=NN1C2=NON=C2N)C(=O)OCC

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(N=NN1C2=NON=C2N)C(=O)OCC

InChI

InChI=1S/C16H27N7O3/c1-4-7-9-22(10-8-5-2)11-12-13(16(24)25-6-3)18-21-23(12)15-14(17)19-26-20-15/h4-11H2,1-3H3,(H2,17,19)/p+1