N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-butylphenyl)-N-[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-butylphenyl)-N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-butylphenyl)-N-[2-(4-p-toluoylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3/c1-3-4-5-21-8-12-23(13-9-21)28-25(32)24(31)27-14-15-29-16-18-30(19-17-29)26(33)22-10-6-20(2)7-11-22/h6-13H,3-5,14-19H2,1-2H3,(H,27,31)(H,28,32)/p+1