(2R)-N-(3-ethanoylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-ethanoylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-15(21(27)23-19-5-3-4-17(14-19)16(2)26)24-10-12-25(13-11-24)20-8-6-18(22)7-9-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)/p+1/t15-/m1/s1