3-[(3-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-2-fluoranyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chloro-2-fluoro-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-2-fluoroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-2-fluorophenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-chloro-2-fluoro-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C12H18ClFN3S+ MolecularWeight: 290.807823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClFN3S/c1-17(2)8-4-7-15-12(18)16-10-6-3-5-9(13)11(10)14/h3,5-6H,4,7-8H2,1-2H3,(H2,15,16,18)/p+1