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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-27-18-9-8-17(14-19(18)28-2)22-20(25)15-23-10-12-24(13-11-23)21(26)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1