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

Systemtic Name: 4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-2-one Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C13H16N4O3/c1-8-5-10(9(2)19-8)13-16-15-12(20-13)7-17-4-3-14-11(18)6-17/h5H,3-4,6-7H2,1-2H3,(H,14,18)/p+1