5-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-furoate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H17NO4/c1-8-5-13(6-9(2)16-8)7-10-3-4-11(17-10)12(14)15/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/t8-,9-/m0/s1