N-(thian-1-ium-3-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: N-(thian-1-ium-3-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: N-tetrahydrothiopyran-1-ium-3-ylacetamide; 2,2,2-trifluoroacetate CAS Name: N-(3-thian-1-iumyl)acetamide; 2,2,2-trifluoroacetate IUPAC Name: N-(thian-1-ium-3-yl)acetamide; 2,2,2-trifluoroacetate Traditional Name: N-tetrahydrothiopyran-1-ium-3-ylacetamide; 2,2,2-trifluoroacetate Formula: C9H14F3NO3S MolecularWeight: 273.27257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC[SH+]C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)NC1CCC[SH+]C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H13NOS.C2HF3O2/c1-6(9)8-7-3-2-4-10-5-7;3-2(4,5)1(6)7/h7H,2-5H2,1H3,(H,8,9);(H,6,7)