2-[2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoyloxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoyloxy]ethyl-trimethyl-azanium Openeye Name: 2-[2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]phenoxy]-1-oxoethoxy]ethyl-trimethylammonium IUPAC Name: 2-[2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetyl]oxyethyl-trimethylazanium Traditional Name: 2-[2-[5-fluoro-2-[(3-nitrobenzyl)thiocarbamoyl]phenoxy]acetyl]oxyethyl-trimethyl-ammonium Formula: C21H25FN3O5S+ MolecularWeight: 450.503703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)COC1=C(C=CC(=C1)F)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)COC1=C(C=CC(=C1)F)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O5S/c1-25(2,3)9-10-29-20(26)14-30-19-12-16(22)7-8-18(19)21(31)23-13-15-5-4-6-17(11-15)24(27)28/h4-8,11-12H,9-10,13-14H2,1-3H3/p+1