5-[(1R)-1-piperidin-1-ium-1-ylethyl]furan-2-carboxylate

Systemtic Name: 5-[(1R)-1-piperidin-1-ium-1-ylethyl]furan-2-carboxylate Openeye Name: 5-[(1R)-1-piperidin-1-ium-1-ylethyl]furan-2-carboxylate CAS Name: 5-[(1R)-1-(1-piperidin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1R)-1-piperidin-1-ium-1-ylethyl]furan-2-carboxylate Traditional Name: 5-[(1R)-1-piperidin-1-ium-1-ylethyl]-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

C[C@H](C1=CC=C(O1)C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C12H17NO3/c1-9(13-7-3-2-4-8-13)10-5-6-11(16-10)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/t9-/m1/s1