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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(3-chlorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-chlorobenzyl)-N-methyl-acetamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-17(27)19-6-8-21(9-7-19)26-12-10-25(11-13-26)16-22(28)24(2)15-18-4-3-5-20(23)14-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1