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

Systemtic Name: 2-(2-bromophenyl)-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole CAS Name: 2-(2-bromophenyl)-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole Formula: C21H23BrN3O+ MolecularWeight: 413.33082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H22BrN3O/c22-19-9-5-4-8-18(19)21-24-23-20(26-21)15-25-12-10-17(11-13-25)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2/p+1