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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-9-5-3-4-8-14(9)10(2)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