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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c1-27-19-9-7-18(8-10-19)22-23-21(29-24-22)17-26-13-11-25(12-14-26)15-16-28-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3/p+1