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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-chlorobenzyl)acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16(26)18-5-7-20(8-6-18)25-11-9-24(10-12-25)15-21(27)23-14-17-3-2-4-19(22)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)/p+1