2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-[(3S)-3-methylpiperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-[(3S)-3-methylpiperazin-4-ium-1-yl]ethanone Openeye Name: 1-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]ethanone CAS Name: 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-[(3S)-3-methyl-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-[(3S)-3-methylpiperazin-4-ium-1-yl]ethanone Traditional Name: 1-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]ethanone Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C(=O)CC2=NOC(=N2)C3=CC(=CC=C3)C

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C(=O)CC2=NOC(=N2)C3=CC(=CC=C3)C

InChI

InChI=1S/C16H20N4O2/c1-11-4-3-5-13(8-11)16-18-14(19-22-16)9-15(21)20-7-6-17-12(2)10-20/h3-5,8,12,17H,6-7,9-10H2,1-2H3/p+1/t12-/m0/s1