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

Systemtic Name: 3-(4-ethylphenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-3-17-4-6-18(7-5-17)22-23-21(28-24-22)16-25-12-14-26(15-13-25)19-8-10-20(27-2)11-9-19/h4-11H,3,12-16H2,1-2H3/p+1