5-[(1S)-1-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]furan-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-3-11-6-4-5-9-15(11)10(2)12-7-8-13(18-12)14(16)17/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)/t10-,11-/m0/s1