[(1R)-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(4-fluorobenzyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=C(C=C2)F)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=C(C=C2)F)[NH+](C)C

InChI

InChI=1S/C20H26FN3S/c1-4-15-5-9-17(10-6-15)19(24(2)3)14-23-20(25)22-13-16-7-11-18(21)12-8-16/h5-12,19H,4,13-14H2,1-3H3,(H2,22,23,25)/p+1/t19-/m0/s1