2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2/c22-19-9-5-4-8-18(19)21(27)25-14-12-24(13-15-25)16-20(26)23-11-10-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,26)/p+1