3-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-fluoro-5-nitro-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-fluoro-5-nitrophenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-fluoro-5-nitro-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C12H18FN4O2S+ MolecularWeight: 301.360323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C12H17FN4O2S/c1-16(2)7-3-6-14-12(20)15-11-8-9(17(18)19)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,20)/p+1