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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-veratryl-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-28-19-9-8-17(14-20(19)29-2)15-23-21(26)16-24-10-12-25(13-11-24)22(27)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)/p+1