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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CCNC(=O)C(=O)NC3=CC=CC=C3

InChI

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