(5-carbamothioyl-2-fluoranyl-phenyl)methyl-dipropyl-azanium

Systemtic Name: (5-carbamothioyl-2-fluoranyl-phenyl)methyl-dipropyl-azanium Openeye Name: (5-carbamothioyl-2-fluoro-phenyl)methyl-dipropyl-ammonium CAS Name: (5-carbamothioyl-2-fluorophenyl)methyl-dipropylammonium IUPAC Name: (5-carbamothioyl-2-fluorophenyl)methyl-dipropylazanium Traditional Name: (2-fluoro-5-thiocarbamoyl-benzyl)-dipropyl-ammonium Formula: C14H22FN2S+ MolecularWeight: 269.401283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2S/c1-3-7-17(8-4-2)10-12-9-11(14(16)18)5-6-13(12)15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,18)/p+1