5-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]furan-2-carboxylate Openeye Name: 5-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1R)-1-[(2R,6S)-2,6-dimethyl-4-morpholin-4-iumyl]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethyl]-2-furoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C(C)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@@H](O1)C)[C@H](C)C2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H19NO4/c1-8-6-14(7-9(2)17-8)10(3)11-4-5-12(18-11)13(15)16/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)/t8-,9+,10-/m1/s1