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

Systemtic Name: (2S)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C21H24FN3O2/c1-15(21(27)23-18-6-4-3-5-7-18)24-10-12-25(13-11-24)20-9-8-17(16(2)26)14-19(20)22/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)/p+1/t15-/m0/s1