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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-20-12-6-9(5-11(13(12)17)15(18)19)7-14-4-2-3-10(16)8-14/h5-6,10,16-17H,2-4,7-8H2,1H3/t10-/m0/s1