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

Systemtic Name: 4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-2-one CAS Name: 4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-2-one Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H18N4O2/c1-10-4-3-5-12(8-10)15-18-17-14(21-15)11(2)19-7-6-16-13(20)9-19/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,20)/p+1/t11-/m0/s1