2-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C15H20F3N4S+ MolecularWeight: 345.40631

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C15H19F3N4S/c1-21(2)10-8-20-14(23)22(9-4-7-19)13-6-3-5-12(11-13)15(16,17)18/h3,5-6,11H,4,8-10H2,1-2H3,(H,20,23)/p+1