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

Systemtic Name: 3-(3-methylbutyl)-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-isopentyl-5-[[4-(2-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylbutyl)-5-[[4-(2-pyridinylmethoxy)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylbutyl)-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-isoamyl-5-[[4-(2-pyridylmethoxy)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NOC(=N1)C[NH+]2CCC(CC2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)CCC1=NOC(=N1)C[NH+]2CCC(CC2)OCC3=CC=CC=N3

InChI

InChI=1S/C19H28N4O2/c1-15(2)6-7-18-21-19(25-22-18)13-23-11-8-17(9-12-23)24-14-16-5-3-4-10-20-16/h3-5,10,15,17H,6-9,11-14H2,1-2H3/p+1