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

Systemtic Name: 3-phenyl-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H23N4O+ MolecularWeight: 335.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-2-6-10-18/h1-10H,11-16H2/p+1