(E)-3-[5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]furan-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]furan-2-yl]prop-2-enoate Openeye Name: (E)-3-[5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-2-furyl]prop-2-enoate CAS Name: (E)-3-[5-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-2-furanyl]-2-propenoate IUPAC Name: (E)-3-[5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]furan-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-2-furyl]acrylate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1C2=CC=C(O2)C=CC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10-4-3-5-11(2)15(10)13-8-6-12(18-13)7-9-14(16)17/h6-11H,3-5H2,1-2H3,(H,16,17)/b9-7+/t10-,11-/m0/s1