dimethyl-[(2R)-1-phenyl-3-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-1-phenyl-3-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-phenyl-3-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]propan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-phenyl-3-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C19H23F3N3OS+ MolecularWeight: 398.46563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H22F3N3OS/c1-25(2)16(12-14-6-4-3-5-7-14)13-23-18(27)24-15-8-10-17(11-9-15)26-19(20,21)22/h3-11,16H,12-13H2,1-2H3,(H2,23,24,27)/p+1/t16-/m1/s1