N'-(4-methylphenyl)-N-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[2-(4-benzoyl-1-piperazin-1-iumyl)ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(p-tolyl)oxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-17-7-9-19(10-8-17)24-21(28)20(27)23-11-12-25-13-15-26(16-14-25)22(29)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)(H,24,28)/p+1