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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CS5

InChI

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