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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-veratryl-acetamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-27-19-7-6-16(12-20(19)28-2)14-23-21(26)15-24-8-10-25(11-9-24)18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)/p+1