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

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-N'-phenyl-oxamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-N'-phenyloxamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N'-phenyloxamide Traditional Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-N'-phenyl-oxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O2/c1-17-8-10-18(11-9-17)20(26-14-12-25(2)13-15-26)16-23-21(27)22(28)24-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,27)(H,24,28)/p+1/t20-/m0/s1