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

Systemtic Name: 3-(phenoxymethyl)-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(phenoxymethyl)-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(phenoxymethyl)-5-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(phenoxymethyl)-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(phenoxymethyl)-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c1-2-8-17(9-3-1)25-15-19-22-20(26-23-19)14-24-12-5-4-10-18(24)16-7-6-11-21-13-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2/p+1/t18-/m0/s1