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

Systemtic Name: (2S)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]propionamide Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

Isomeric SMILES

C[C@@H](C(=O)N)[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C15H20FN3O2/c1-10(15(17)21)18-5-7-19(8-6-18)14-4-3-12(11(2)20)9-13(14)16/h3-4,9-10H,5-8H2,1-2H3,(H2,17,21)/p+1/t10-/m0/s1