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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazol-5-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-(1,3-benzodioxol-5-yloxymethyl)-1,2,4-oxadiazole-5-carbonyl]amino]ethyl-diethyl-ammonium Formula: C17H23N4O5+ MolecularWeight: 363.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5/c1-3-21(4-2)8-7-18-16(22)17-19-15(20-26-17)10-23-12-5-6-13-14(9-12)25-11-24-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,18,22)/p+1