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

Systemtic Name: N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-(4-methanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-(4-formylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-(4-formyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-(4-formylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-(4-formylpiperazin-1-ium-1-yl)acetamide Formula: C20H20BrClN3O3+ MolecularWeight: 465.7481

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3O3/c21-14-5-6-18(16(11-14)20(28)15-3-1-2-4-17(15)22)23-19(27)12-24-7-9-25(13-26)10-8-24/h1-6,11,13H,7-10,12H2,(H,23,27)/p+1