ethyl (2S)-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-(2-furylmethyl)piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(2-furanylmethyl)-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-furfuryl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=CO2

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC=CO2

InChI

InChI=1S/C13H19NO3/c1-2-16-13(15)12-7-3-4-8-14(12)10-11-6-5-9-17-11/h5-6,9,12H,2-4,7-8,10H2,1H3/p+1/t12-/m0/s1