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

Systemtic Name: ethyl 4-[2-(2,6-dimethylphenyl)ethanoyl]thiomorpholin-4-ium-4-carboxylate Openeye Name: ethyl 4-[2-(2,6-dimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate CAS Name: 4-[2-(2,6-dimethylphenyl)-1-oxoethyl]-4-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,6-dimethylphenyl)acetyl]thiomorpholin-4-ium-4-carboxylate Traditional Name: 4-[2-(2,6-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=CC=C2C)C

Isomeric SMILES

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

InChI

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