3-(4-ethylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C22H26N4O/c1-3-18-8-10-19(11-9-18)22-23-21(27-24-22)16-25-12-14-26(15-13-25)20-7-5-4-6-17(20)2/h4-11H,3,12-16H2,1-2H3/p+1