2-methoxy-4-nitro-6-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methoxy-4-nitro-phenolate Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCCC(C2)O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCC[C@H](C2)O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-20-12-6-10(15(18)19)5-9(13(12)17)7-14-4-2-3-11(16)8-14/h5-6,11,16-17H,2-4,7-8H2,1H3/t11-/m1/s1