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

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-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=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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