3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzoate

Systemtic Name: 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzoate Openeye Name: 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzoate CAS Name: 3-[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzoate Traditional Name: 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzoate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-11-9-16(10-12(2)20-11)6-7-19-14-5-3-4-13(8-14)15(17)18/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1