5-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-2-furoate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@@H](C)C2=CC=C(O2)C(=O)[O-])C

InChI

InChI=1S/C14H21NO3/c1-9-6-10(2)8-15(7-9)11(3)12-4-5-13(18-12)14(16)17/h4-5,9-11H,6-8H2,1-3H3,(H,16,17)/t9-,10-,11-/m0/s1