4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-2-one Formula: C12H21N4O2+ MolecularWeight: 253.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C12H20N4O2/c1-8(16-6-5-13-9(17)7-16)10-14-11(15-18-10)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,17)/p+1/t8-/m0/s1