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

Systemtic Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)CCNC(=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)CCNC(=O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25FN4O2/c22-19-9-5-4-6-17(19)16-26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-18-7-2-1-3-8-18/h1-9H,10-16H2,(H,23,27)(H,24,28)/p+1