2-[[(2R)-2-acetamido-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2R)-2-acetamido-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-1-oxo-3-[[3-(trifluoromethyl)phenyl]thio]propyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[[3-(trifluoromethyl)phenyl]thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C18H27F3N3O2S+ MolecularWeight: 406.48609

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(CSC1=CC=CC(=C1)C(F)(F)F)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](CSC1=CC=CC(=C1)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C18H26F3N3O2S/c1-4-24(5-2)10-9-22-17(26)16(23-13(3)25)12-27-15-8-6-7-14(11-15)18(19,20)21/h6-8,11,16H,4-5,9-10,12H2,1-3H3,(H,22,26)(H,23,25)/p+1/t16-/m0/s1