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

Systemtic Name: 3-methyl-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-14(2)12-18(24)23-10-8-22(9-11-23)13-17-20-19(21-25-17)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3/p+1