2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H26ClN3O2+2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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