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

Systemtic Name: 4-[[3-[(2,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-[(2,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-[(2,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-[(2,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(2,5-dimethylbenzyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NOC(=N2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NOC(=N2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O2/c1-11-3-4-12(2)13(7-11)8-14-18-16(22-19-14)10-20-6-5-17-15(21)9-20/h3-4,7H,5-6,8-10H2,1-2H3,(H,17,21)/p+1