2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C22H24BrClN3O3+ MolecularWeight: 493.80126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClN3O3/c23-17-7-5-16(6-8-17)20(28)9-10-22(30)27-13-11-26(12-14-27)15-21(29)25-19-4-2-1-3-18(19)24/h1-8H,9-15H2,(H,25,29)/p+1