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

Systemtic Name: 2-(4-methylphenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C16H22N3O+ MolecularWeight: 272.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NN=C(O2)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NN=C(O2)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H21N3O/c1-12-6-8-14(9-7-12)16-18-17-15(20-16)11-19-10-4-3-5-13(19)2/h6-9,13H,3-5,10-11H2,1-2H3/p+1/t13-/m0/s1