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

Systemtic Name: 2-[(2R,6S)-6-hexadecyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate Openeye Name: 2-[(2R,6S)-6-hexadecyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-hexadecyl-6-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]acetate IUPAC Name: 2-[(2R,6S)-6-hexadecyl-6-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-cetyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate Formula: C24H47NO4 MolecularWeight: 413.63428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)[O-])(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)21-25(2,3)20-22(29-24)19-23(26)27/h22,28H,4-21H2,1-3H3/t22-,24+/m1/s1