[2-[[(4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(4-fluorophenyl)thiocarbamoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C17H21FN3S+ MolecularWeight: 318.432143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3S/c1-21(2)12-14-6-4-3-5-13(14)11-19-17(22)20-16-9-7-15(18)8-10-16/h3-10H,11-12H2,1-2H3,(H2,19,20,22)/p+1