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

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c22-17-6-7-19(18(14-17)21(28)16-4-2-1-3-5-16)23-20(27)15-25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13,15H2,(H,23,27)/p+1