N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N'-phenyl-N-[2-(4-veratroylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C23H29N4O5+ MolecularWeight: 441.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N4O5/c1-31-19-9-8-17(16-20(19)32-2)23(30)27-14-12-26(13-15-27)11-10-24-21(28)22(29)25-18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,24,28)(H,25,29)/p+1