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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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