N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H22BrClN3O4+ MolecularWeight: 531.80618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H21BrClN3O4/c25-16-7-8-20(18(14-16)23(31)17-4-1-2-5-19(17)26)27-22(30)15-28-9-11-29(12-10-28)24(32)21-6-3-13-33-21/h1-8,13-14H,9-12,15H2,(H,27,30)/p+1