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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-18-7-9-20(10-8-18)24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)/p+1