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

Systemtic Name: 5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)CCOC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2/c1-2-6-17(7-3-1)26-15-14-24-10-12-25(13-11-24)16-19-22-20(23-27-19)18-8-4-5-9-21-18/h1-9H,10-16H2/p+1