2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H28FN4O3+ MolecularWeight: 427.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4)F

InChI

InChI=1S/C23H27FN4O3/c1-16(29)17-4-5-21(19(24)12-17)27-10-8-26(9-11-27)15-22(30)18-13-20(25-14-18)23(31)28-6-2-3-7-28/h4-5,12-14,25H,2-3,6-11,15H2,1H3/p+1