3-(phenoxymethyl)-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(phenoxymethyl)-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(phenoxymethyl)-5-[[4-(2-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-[[4-(2-pyridinylmethoxy)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(phenoxymethyl)-5-[[4-(2-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=N2)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=N2)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-2-7-18(8-3-1)27-16-20-23-21(28-24-20)14-25-12-9-19(10-13-25)26-15-17-6-4-5-11-22-17/h1-8,11,19H,9-10,12-16H2/p+1