1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-17-7-9-18(10-8-17)22-23-20(29-24-22)15-25-11-13-26(14-12-25)21(27)16-28-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1