2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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