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

Systemtic Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-phenyl-acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c22-19-8-4-7-18(13-19)16-24-9-11-25(12-10-24)21(27)15-23-20(26)14-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,23,26)/p+1