5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-2-furoate Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-9-4-3-5-10(2)14(9)8-11-6-7-12(17-11)13(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)/t9-,10-/m0/s1