2-[(2R,6S)-4,4-dimethyl-6-octadecyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R,6S)-4,4-dimethyl-6-octadecyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate Openeye Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-octadecyl-morpholin-4-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-octadecyl-2-morpholin-4-iumyl]acetate IUPAC Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-octadecylmorpholin-4-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-stearyl-morpholin-4-ium-2-yl]acetate Formula: C26H51NO4 MolecularWeight: 441.68744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)[O-])(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[C@]1(C[N+](C[C@H](O1)CC(=O)[O-])(C)C)O

InChI

InChI=1S/C26H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)23-27(2,3)22-24(31-26)21-25(28)29/h24,30H,4-23H2,1-3H3/t24-,26+/m1/s1