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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-chloro-4-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=CC(=C(C=C1)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClFN3S/c1-17(2)7-3-6-15-12(18)16-9-4-5-11(14)10(13)8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18)/p+1