N'-(4-ethylphenyl)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-ethylphenyl)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide CAS Name: N'-(4-ethylphenyl)-N-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]oxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-2-19-8-10-21(11-9-19)25-23(29)22(28)24-12-13-26-14-16-27(17-15-26)18-20-6-4-3-5-7-20/h3-11H,2,12-18H2,1H3,(H,24,28)(H,25,29)/p+1