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

Systemtic Name: N-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-(4-p-anisoylpiperazin-1-ium-1-yl)ethyl]-N'-phenyl-oxamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-30-19-9-7-17(8-10-19)22(29)26-15-13-25(14-16-26)12-11-23-20(27)21(28)24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)(H,24,28)/p+1