N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C26H27ClN3O2+ MolecularWeight: 448.96448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O2/c27-22-11-12-24(23(17-22)26(32)21-9-5-2-6-10-21)28-25(31)19-30-15-13-29(14-16-30)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,28,31)/p+1