3-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H18ClF3N3S+ MolecularWeight: 340.81533

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C13H17ClF3N3S/c1-20(2)7-3-6-18-12(21)19-9-4-5-11(14)10(8-9)13(15,16)17/h4-5,8H,3,6-7H2,1-2H3,(H2,18,19,21)/p+1