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

Systemtic Name: 2-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-fluoro-5-nitro-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-fluoro-5-nitrophenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2-fluoro-5-nitro-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C11H16FN4O2S+ MolecularWeight: 287.333743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15FN4O2S/c1-15(2)6-5-13-11(19)14-10-7-8(16(17)18)3-4-9(10)12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,19)/p+1