N-[2-(2-bromophenyl)carbonyl-4-chloranyl-phenyl]-2-(4-methanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2-bromophenyl)carbonyl-4-chloranyl-phenyl]-2-(4-methanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-bromobenzoyl)-4-chloro-phenyl]-2-(4-formylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-bromophenyl)-oxomethyl]-4-chlorophenyl]-2-(4-formyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(2-bromobenzoyl)-4-chlorophenyl]-2-(4-formylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2-bromobenzoyl)-4-chloro-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)Cl)C(=O)C3=CC=CC=C3Br)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Br)C=O

InChI

InChI=1S/C20H19BrClN3O3/c21-17-4-2-1-3-15(17)20(28)16-11-14(22)5-6-18(16)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