N-(1,3-benzodioxol-5-yl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H21N4O4S+ MolecularWeight: 413.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C20H20N4O4S/c25-20(21-15-1-2-16-17(9-15)27-12-26-16)13-3-6-24(7-4-13)10-18-22-19(23-28-18)14-5-8-29-11-14/h1-2,5,8-9,11,13H,3-4,6-7,10,12H2,(H,21,25)/p+1