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

Systemtic Name: [4-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(3-chloro-4-fluoro-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[(3-chloro-4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C17H20ClFN3S+ MolecularWeight: 352.877203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN3S/c1-22(2)11-13-5-3-12(4-6-13)10-20-17(23)21-14-7-8-16(19)15(18)9-14/h3-9H,10-11H2,1-2H3,(H2,20,21,23)/p+1