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

Systemtic Name: 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate Openeye Name: 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate CAS Name: 2-[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate Traditional Name: 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-12-10-17(11-13(2)21-12)8-5-9-20-15-7-4-3-6-14(15)16(18)19/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,18,19)/t12-,13-/m0/s1