2-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]phenyl]acetate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-11-8-16(9-12(2)19-11)10-14-5-3-13(4-6-14)7-15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1