4-nitro-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])O

InChI

InChI=1S/C12H16N2O4/c15-11-2-1-5-13(8-11)7-9-6-10(14(17)18)3-4-12(9)16/h3-4,6,11,15-16H,1-2,5,7-8H2/t11-/m1/s1