2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H30ClN3O+2 MolecularWeight: 387.9461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O/c1-3-19-8-4-6-17(2)22(19)24-21(27)16-26-12-10-25(11-13-26)15-18-7-5-9-20(23)14-18/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,27)/p+2