2-(4-bromophenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-bromophenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Openeye Name: 2-(4-bromophenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole CAS Name: 2-(4-bromophenyl)-5-[(3S)-3-piperidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-bromophenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Traditional Name: 2-(4-bromophenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,3,4-oxadiazole Formula: C13H15BrN3O+ MolecularWeight: 309.1817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H14BrN3O/c14-11-5-3-9(4-6-11)12-16-17-13(18-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2/p+1/t10-/m0/s1