2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-17-6-7-18(19(13-17)27-2)22-20(25)14-23-8-10-24(11-9-23)16-5-3-4-15(21)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1