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

Systemtic Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[(2S)-2-phenethyl-1-piperidin-1-iumyl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCCCC2CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCCC[C@H]2CCC3=CC=CC=C3

InChI

InChI=1S/C19H27N3O/c1-2-8-18-20-19(23-21-18)15-22-14-7-6-11-17(22)13-12-16-9-4-3-5-10-16/h3-5,9-10,17H,2,6-8,11-15H2,1H3/p+1/t17-/m0/s1