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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)OC

InChI

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