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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

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