2-[(2R,6S)-6-heptadecyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[(2R,6S)-6-heptadecyl-4,4-dimethyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[(2R,6S)-6-heptadecyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetic acid CAS Name: 2-[(2R,6S)-6-heptadecyl-6-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]acetic acid IUPAC Name: 2-[(2R,6S)-6-heptadecyl-6-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]acetic acid Traditional Name: 2-[(2R,6S)-6-heptadecyl-6-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]acetic acid Formula: C25H50NO4+ MolecularWeight: 428.6688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)O)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)22-26(2,3)21-23(30-25)20-24(27)28/h23,29H,4-22H2,1-3H3/p+1/t23-,25+/m1/s1