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

Systemtic Name: 2-[(2R,6S)-4,4-dimethyl-6-oxidanyl-6-tridecyl-morpholin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tridecyl-morpholin-4-ium-2-yl]acetic acid CAS Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tridecyl-2-morpholin-4-iumyl]acetic acid IUPAC Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tridecylmorpholin-4-ium-2-yl]acetic acid Traditional Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-tridecyl-morpholin-4-ium-2-yl]acetic acid Formula: C21H42NO4+ MolecularWeight: 372.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)O)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(25)18-22(2,3)17-19(26-21)16-20(23)24/h19,25H,4-18H2,1-3H3/p+1/t19-,21+/m1/s1