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

Systemtic Name: [3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-propan-2-yloxycarbonyl-1,2,3-triazol-4-yl]methyl-dibutyl-azanium Openeye Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropoxycarbonyl-triazol-4-yl]methyl-dibutyl-ammonium CAS Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[oxo(propan-2-yloxy)methyl]-4-triazolyl]methyl-dibutylammonium IUPAC Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yloxycarbonyltriazol-4-yl]methyl-dibutylazanium Traditional Name: [3-(4-aminofurazan-3-yl)-5-isopropoxycarbonyl-triazol-4-yl]methyl-dibutyl-ammonium Formula: C17H30N7O3+ MolecularWeight: 380.4652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N7O3/c1-5-7-9-23(10-8-6-2)11-13-14(17(25)26-12(3)4)19-22-24(13)16-15(18)20-27-21-16/h12H,5-11H2,1-4H3,(H2,18,20)/p+1