N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzoyl-4-chloro-phenyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-benzoyl-4-chlorophenyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzoyl-4-chlorophenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzoyl-4-chloro-phenyl)acetamide Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3/c1-15(26)25-11-9-24(10-12-25)14-20(27)23-19-8-7-17(22)13-18(19)21(28)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,27)/p+1