3-[(4-fluorophenyl)methylcarbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluorophenyl)methylcarbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(4-fluorophenyl)methylcarbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(4-fluorophenyl)methylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-fluorobenzyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H26FN3S/c1-23(2)13-6-14-24(16-18-7-4-3-5-8-18)20(25)22-15-17-9-11-19(21)12-10-17/h3-5,7-12H,6,13-16H2,1-2H3,(H,22,25)/p+1