4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-5-methyl-2-furoate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(OC(=C2)C(=O)[O-])C)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC2=C(OC(=C2)C(=O)[O-])C)C

InChI

InChI=1S/C14H21NO3/c1-9-5-4-6-10(2)15(9)8-12-7-13(14(16)17)18-11(12)3/h7,9-10H,4-6,8H2,1-3H3,(H,16,17)/t9-,10-/m0/s1