N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-ethanediamide

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-ethanediamide Openeye Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-N-phenethyloxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyloxamide Traditional Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-oxamide Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H35N5O2/c1-28(2)22-11-9-21(10-12-22)23(30-17-15-29(3)16-18-30)19-27-25(32)24(31)26-14-13-20-7-5-4-6-8-20/h4-12,23H,13-19H2,1-3H3,(H,26,31)(H,27,32)/p+1/t23-/m1/s1