2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3R)-3-acetamido-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3R)-3-acetamido-3-phenylpropanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C23H28FN4O3+ MolecularWeight: 427.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C23H27FN4O3/c1-17(29)25-21(18-6-3-2-4-7-18)15-23(31)28-12-10-27(11-13-28)16-22(30)26-20-9-5-8-19(24)14-20/h2-9,14,21H,10-13,15-16H2,1H3,(H,25,29)(H,26,30)/p+1/t21-/m1/s1