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

Systemtic Name: 2-[(2R,6S)-6-docosyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate Openeye Name: 2-[(2R,6S)-6-docosyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-docosyl-6-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]acetate IUPAC Name: 2-[(2R,6S)-6-docosyl-6-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-behenyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate Formula: C30H59NO4 MolecularWeight: 497.79376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)[O-])(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C30H59NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(34)27-31(2,3)26-28(35-30)25-29(32)33/h28,34H,4-27H2,1-3H3/t28-,30+/m1/s1