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

Systemtic Name: 5-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-3-benzyloxypiperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-3-benzoxypiperidin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C19H22N3O2S+ MolecularWeight: 356.46188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=CC=CS3)OCC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S/c1-2-6-15(7-3-1)14-23-16-8-4-10-22(12-16)13-18-20-19(21-24-18)17-9-5-11-25-17/h1-3,5-7,9,11,16H,4,8,10,12-14H2/p+1/t16-/m0/s1