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

Systemtic Name: 2-[(2R,6S)-6-henicosyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoate Openeye Name: 2-[(2R,6S)-6-henicosyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate CAS Name: 2-[(2R,6S)-6-heneicosyl-6-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]acetate IUPAC Name: 2-[(2R,6S)-6-henicosyl-6-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]acetate Traditional Name: 2-[(2R,6S)-6-heneicosyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetate Formula: C29H57NO4 MolecularWeight: 483.76718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)[O-])(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C29H57NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(33)26-30(2,3)25-27(34-29)24-28(31)32/h27,33H,4-26H2,1-3H3/t27-,29+/m1/s1