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

Systemtic Name: N-[2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(phenylmethyl)ethanediamide Openeye Name: N'-benzyl-N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(phenylmethyl)oxamide IUPAC Name: N'-benzyl-N-[2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-benzyl-N-[2-(4-p-toluoylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-18-7-9-20(10-8-18)23(30)27-15-13-26(14-16-27)12-11-24-21(28)22(29)25-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29)/p+1