ethyl 4-[2-(2,4,6-trimethylphenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate

Systemtic Name: ethyl 4-[2-(2,4,6-trimethylphenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate Openeye Name: ethyl 4-[2-(2,4,6-trimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate CAS Name: 4-[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]-4-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4,6-trimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate Traditional Name: 4-(2-mesitylacetyl)thiomorpholin-4-ium-4-carboxylic acid ethyl ester Formula: C18H26NO3S+ MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCSCC1)C(=O)CC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)[N+]1(CCSCC1)C(=O)CC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H26NO3S/c1-5-22-18(21)19(6-8-23-9-7-19)17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3/q+1