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

Systemtic Name: 3-propyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-propyl-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-propyl-5-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-propyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-propyl-5-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C16H22N4O/c1-2-6-15-18-16(21-19-15)12-20-10-4-3-8-14(20)13-7-5-9-17-11-13/h5,7,9,11,14H,2-4,6,8,10,12H2,1H3/p+1/t14-/m0/s1