(2-methoxy-2-oxidanylidene-ethyl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Openeye Name: (2-methoxy-2-oxo-ethyl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ammonium CAS Name: (2-methoxy-2-oxoethyl)-[[4-(trifluoromethylthio)phenyl]methyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[4-(trifluoromethylthio)benzyl]ammonium Formula: C11H13F3NO2S+ MolecularWeight: 280.28663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

COC(=O)C[NH2+]CC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C11H12F3NO2S/c1-17-10(16)7-15-6-8-2-4-9(5-3-8)18-11(12,13)14/h2-5,15H,6-7H2,1H3/p+1