N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide

Systemtic Name: N-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-(4-m-toluoylpiperazin-1-ium-1-yl)ethyl]-N'-phenyl-oxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3

InChI

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