3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]propanamide

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(phenylcarbonyl)phenyl]propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-benzoylphenyl)propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-benzoylphenyl)propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-benzoylphenyl)propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-benzoylphenyl)propionamide Formula: C28H29FN3O3+ MolecularWeight: 474.546563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C28H28FN3O3/c1-20(33)22-11-12-26(24(29)19-22)32-17-15-31(16-18-32)14-13-27(34)30-25-10-6-5-9-23(25)28(35)21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,30,34)/p+1