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

Systemtic Name: ethyl 4-[2-(2,4-dimethylphenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate Openeye Name: ethyl 4-[2-(2,4-dimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate CAS Name: 4-[2-(2,4-dimethylphenyl)-1-oxoethyl]-4-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4-dimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylic acid ethyl ester Formula: C17H24NO3S+ MolecularWeight: 322.44236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCSCC1)C(=O)CC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)[N+]1(CCSCC1)C(=O)CC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C17H24NO3S/c1-4-21-17(20)18(7-9-22-10-8-18)16(19)12-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3/q+1