2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2/c1-17(27)21(15-18-5-3-2-4-6-18)24-22(28)16-25-11-13-26(14-12-25)20-9-7-19(23)8-10-20/h2-10,21H,11-16H2,1H3,(H,24,28)/p+1/t21-/m0/s1