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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-homoveratryl-acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-29-20-9-8-18(16-21(20)30-2)10-11-24-22(27)17-25-12-14-26(15-13-25)23(28)19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,24,27)/p+1