3-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]propyl-dimethyl-ammonium Formula: C16H21N4O5+ MolecularWeight: 349.36174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=NC(=NO1)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=NC(=NO1)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O5/c1-20(2)7-3-6-17-15(21)16-18-14(19-25-16)9-22-11-4-5-12-13(8-11)24-10-23-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)/p+1