(3R)-4-ethyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-ethyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-ethyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-ethyl-3-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-ethyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-ethyl-3-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1CC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C13H16N4O2S/c1-2-17-5-4-14-13(18)10(17)7-11-15-12(16-19-11)9-3-6-20-8-9/h3,6,8,10H,2,4-5,7H2,1H3,(H,14,18)/p+1/t10-/m1/s1