(5-carbamothioyl-2-fluoranyl-phenyl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (5-carbamothioyl-2-fluoranyl-phenyl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (5-carbamothioyl-2-fluoro-phenyl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (5-carbamothioyl-2-fluorophenyl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-carbamothioyl-2-fluorophenyl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (3-fluorobenzyl)-(2-fluoro-5-thiocarbamoyl-benzyl)-methyl-ammonium Formula: C16H17F2N2S+ MolecularWeight: 307.381386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C16H16F2N2S/c1-20(9-11-3-2-4-14(17)7-11)10-13-8-12(16(19)21)5-6-15(13)18/h2-8H,9-10H2,1H3,(H2,19,21)/p+1