ethyl (3R)-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-nitro-2-furyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-nitro-2-furanyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-nitrofuran-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-nitro-2-furyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H19N2O5+ MolecularWeight: 283.30036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-2-19-13(16)10-4-3-7-14(8-10)9-11-5-6-12(20-11)15(17)18/h5-6,10H,2-4,7-9H2,1H3/p+1/t10-/m1/s1