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

Systemtic Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-furoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC=C(O2)C(=O)[O-])C

InChI

InChI=1S/C13H19NO3/c1-9-5-10(2)7-14(6-9)8-11-3-4-12(17-11)13(15)16/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)/t9-,10-/m0/s1