3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H20ClN4O+ MolecularWeight: 355.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-21-18(25-22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2/p+1