[(3S)-1-methylpiperidin-1-ium-3-yl] 5-nitrofuran-2-carboxylate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-nitrofuran-2-carboxylate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C11H15N2O5+ MolecularWeight: 255.2472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5/c1-12-6-2-3-8(7-12)17-11(14)9-4-5-10(18-9)13(15)16/h4-5,8H,2-3,6-7H2,1H3/p+1/t8-/m0/s1