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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-o-phenetyl-acetamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-2-27-20-9-4-3-8-19(20)23-21(26)16-25-12-10-24(11-13-25)15-17-6-5-7-18(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)/p+2