N-(4-fluorophenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23FN4O3/c22-17-6-8-18(9-7-17)24-19(27)14-23-20(28)15-25-10-12-26(13-11-25)21(29)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)(H,24,27)/p+1