butyl-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]-ethyl-azanium

Systemtic Name: butyl-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]-ethyl-azanium Openeye Name: butyl-[(5-carbamothioyl-2-fluoro-phenyl)methyl]-ethyl-ammonium CAS Name: butyl-[(5-carbamothioyl-2-fluorophenyl)methyl]-ethylammonium IUPAC Name: butyl-[(5-carbamothioyl-2-fluorophenyl)methyl]-ethylazanium Traditional Name: butyl-ethyl-(2-fluoro-5-thiocarbamoyl-benzyl)ammonium Formula: C14H22FN2S+ MolecularWeight: 269.401283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2S/c1-3-5-8-17(4-2)10-12-9-11(14(16)18)6-7-13(12)15/h6-7,9H,3-5,8,10H2,1-2H3,(H2,16,18)/p+1