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

Systemtic Name: N'-(4-butylphenyl)-N-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(4-butylphenyl)oxamide CAS Name: N-[2-(4-benzoyl-1-piperazin-1-iumyl)ethyl]-N'-(4-butylphenyl)oxamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(4-butylphenyl)oxamide Traditional Name: N-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyl]-N'-(4-butylphenyl)oxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O3/c1-2-3-7-20-10-12-22(13-11-20)27-24(31)23(30)26-14-15-28-16-18-29(19-17-28)25(32)21-8-5-4-6-9-21/h4-6,8-13H,2-3,7,14-19H2,1H3,(H,26,30)(H,27,31)/p+1