(2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H21ClF3N4O3+ MolecularWeight: 457.85395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N4O3/c1-13(19(29)25-16-7-6-14(21)12-15(16)20(22,23)24)26-8-10-27(11-9-26)17-4-2-3-5-18(17)28(30)31/h2-7,12-13H,8-11H2,1H3,(H,25,29)/p+1/t13-/m0/s1