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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)COC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)COC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c1-3-7-19(8-4-1)27-16-15-25-11-13-26(14-12-25)17-22-23-21(24-29-22)18-28-20-9-5-2-6-10-20/h1-10H,11-18H2/p+1