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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propionamide Formula: C23H31FN5O2+ MolecularWeight: 428.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=NN3C4CCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=NN3C4CCCC4)F

InChI

InChI=1S/C23H30FN5O2/c1-17(30)18-6-7-21(20(24)16-18)28-14-12-27(13-15-28)11-9-23(31)26-22-8-10-25-29(22)19-4-2-3-5-19/h6-8,10,16,19H,2-5,9,11-15H2,1H3,(H,26,31)/p+1