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

Systemtic Name: (3R)-4-ethyl-3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-ethyl-3-[[3-(2-thienylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-ethyl-3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-ethyl-3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-ethyl-3-[[3-(2-thenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C14H19N4O2S+ MolecularWeight: 307.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC2=NC(=NO2)CC3=CC=CS3

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@H]1CC2=NC(=NO2)CC3=CC=CS3

InChI

InChI=1S/C14H18N4O2S/c1-2-18-6-5-15-14(19)11(18)9-13-16-12(17-20-13)8-10-4-3-7-21-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,15,19)/p+1/t11-/m1/s1