N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H19BrCl2N3O+ MolecularWeight: 444.17296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Br)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Br)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18BrCl2N3O/c19-14-3-1-2-4-17(14)22-18(25)12-23-7-9-24(10-8-23)13-5-6-15(20)16(21)11-13/h1-6,11H,7-10,12H2,(H,22,25)/p+1