N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3-fluoro-benzamide Formula: C24H24ClFN3O+ MolecularWeight: 424.918263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H23ClFN3O/c25-23-7-2-1-4-19(23)17-28-12-14-29(15-13-28)22-10-8-21(9-11-22)27-24(30)18-5-3-6-20(26)16-18/h1-11,16H,12-15,17H2,(H,27,30)/p+1