2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[2-(4-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C20H22BrClN3O3+ MolecularWeight: 467.76398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrClN3O3/c21-15-5-7-16(8-6-15)28-14-20(27)25-11-9-24(10-12-25)13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)/p+1