2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O2/c21-16-7-4-8-17(22)19(16)20(27)25-11-9-24(10-12-25)14-18(26)23-13-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)/p+1