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

Systemtic Name: 2-[(2R,6S)-6-icosyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate Openeye Name: 2-[(2R,6S)-6-hydroxy-6-icosyl-4,4-dimethyl-morpholin-4-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-eicosyl-6-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]acetate IUPAC Name: 2-[(2R,6S)-6-hydroxy-6-icosyl-4,4-dimethylmorpholin-4-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-arachyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate Formula: C28H55NO4 MolecularWeight: 469.7406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)[O-])(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H55NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(32)25-29(2,3)24-26(33-28)23-27(30)31/h26,32H,4-25H2,1-3H3/t26-,28+/m1/s1