2-[4-[(2S)-2-(aminocarbonylamino)-2-phenyl-ethanoyl]piperazin-1-ium-1-yl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-[(2S)-2-(aminocarbonylamino)-2-phenyl-ethanoyl]piperazin-1-ium-1-yl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2S)-2-phenyl-2-ureido-acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-2-(carbamoylamino)-1-oxo-2-phenylethyl]-1-piperazin-1-iumyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-[(2S)-2-(carbamoylamino)-2-phenylacetyl]piperazin-1-ium-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2S)-2-phenyl-2-ureido-acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H24ClF3N5O3+ MolecularWeight: 498.90587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)C(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)[C@H](C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H23ClF3N5O3/c23-17-7-6-15(12-16(17)22(24,25)26)28-18(32)13-30-8-10-31(11-9-30)20(33)19(29-21(27)34)14-4-2-1-3-5-14/h1-7,12,19H,8-11,13H2,(H,28,32)(H3,27,29,34)/p+1/t19-/m0/s1