carboxy-[(3E)-3-hydroxyimino-2-methyl-2-methylsulfanyl-propyl]-methyl-[3-(trifluoromethyl)phenyl]sulfanyl-azanium

Systemtic Name: carboxy-[(3E)-3-hydroxyimino-2-methyl-2-methylsulfanyl-propyl]-methyl-[3-(trifluoromethyl)phenyl]sulfanyl-azanium Openeye Name: carboxy-[(3E)-3-hydroxyimino-2-methyl-2-methylsulfanyl-propyl]-methyl-[3-(trifluoromethyl)phenyl]sulfanyl-ammonium CAS Name: carboxy-[(3E)-3-hydroxyimino-2-methyl-2-(methylthio)propyl]-methyl-[[3-(trifluoromethyl)phenyl]thio]ammonium IUPAC Name: carboxy-[(3E)-3-hydroxyimino-2-methyl-2-methylsulfanylpropyl]-methyl-[3-(trifluoromethyl)phenyl]sulfanylazanium Traditional Name: carboxy-[(3E)-3-hydroximino-2-methyl-2-(methylthio)propyl]-methyl-[[3-(trifluoromethyl)phenyl]thio]ammonium Formula: C14H18F3N2O3S2+ MolecularWeight: 383.42953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C(=O)O)SC1=CC=CC(=C1)C(F)(F)F)(C=NO)SC

Isomeric SMILES

CC(C[N+](C)(C(=O)O)SC1=CC=CC(=C1)C(F)(F)F)(/C=N/O)SC

InChI

InChI=1S/C14H17F3N2O3S2/c1-13(23-3,8-18-22)9-19(2,12(20)21)24-11-6-4-5-10(7-11)14(15,16)17/h4-8H,9H2,1-3H3,(H-,20,21,22)/p+1/b18-8+