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

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C25H27ClN3O+ MolecularWeight: 420.95438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O/c26-23-12-8-21(9-13-23)19-29-16-14-28(15-17-29)18-20-6-10-22(11-7-20)25(30)27-24-4-2-1-3-5-24/h1-13H,14-19H2,(H,27,30)/p+1