ethyl (2R,3S)-2-ethyl-5,5-dimethyl-3-thiomorpholin-4-ium-4-yl-hexanoate

Systemtic Name: ethyl (2R,3S)-2-ethyl-5,5-dimethyl-3-thiomorpholin-4-ium-4-yl-hexanoate Openeye Name: ethyl (2R,3S)-2-ethyl-5,5-dimethyl-3-thiomorpholin-4-ium-4-yl-hexanoate CAS Name: (2R,3S)-2-ethyl-5,5-dimethyl-3-(4-thiomorpholin-4-iumyl)hexanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-ethyl-5,5-dimethyl-3-thiomorpholin-4-ium-4-ylhexanoate Traditional Name: (2R,3S)-2-ethyl-5,5-dimethyl-3-thiomorpholin-4-ium-4-yl-hexanoic acid ethyl ester Formula: C16H32NO2S+ MolecularWeight: 302.49578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)(C)C)[NH+]1CCSCC1)C(=O)OCC

Isomeric SMILES

CC[C@H]([C@H](CC(C)(C)C)[NH+]1CCSCC1)C(=O)OCC

InChI

InChI=1S/C16H31NO2S/c1-6-13(15(18)19-7-2)14(12-16(3,4)5)17-8-10-20-11-9-17/h13-14H,6-12H2,1-5H3/p+1/t13-,14+/m1/s1