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

Systemtic Name: 2-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c16-9-10-2-1-5-14(7-10)8-11-6-12(15(18)19)3-4-13(11)17/h3-4,6,10,16-17H,1-2,5,7-9H2/t10-/m1/s1