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

Systemtic Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N4O2/c1-13-3-5-14(6-4-13)17-18-15(23-19-17)7-8-16(22)21-11-9-20(2)10-12-21/h3-6H,7-12H2,1-2H3/p+1