N-[(3-chlorophenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-chlorobenzyl)acetamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O2/c21-18-8-4-5-16(13-18)14-22-19(25)15-23-9-11-24(12-10-23)20(26)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2,(H,22,25)/p+1