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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-2-10-5-3-4-8-14(10)9-11-6-7-12(17-11)13(15)16/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)/t10-/m0/s1