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

Systemtic Name: 4-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-nitro-phenolate Openeye Name: 4-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-nitro-phenolate CAS Name: 4-[[(2R)-2-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-2-nitrophenolate IUPAC Name: 4-[[(2R)-2-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-nitrophenolate Traditional Name: 4-[[(2R)-2-carbethoxypiperidin-1-ium-1-yl]methyl]-2-nitro-phenolate Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-2-22-15(19)12-5-3-4-8-16(12)10-11-6-7-14(18)13(9-11)17(20)21/h6-7,9,12,18H,2-5,8,10H2,1H3/t12-/m1/s1