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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c16-9-11-2-1-5-14(8-11)7-10-3-4-13(17)12(6-10)15(18)19/h3-4,6,11,16-17H,1-2,5,7-9H2/t11-/m0/s1