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

Systemtic Name: 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H20N2O5/c1-2-22-15(19)11-4-3-7-16(9-11)10-12-8-13(17(20)21)5-6-14(12)18/h5-6,8,11,18H,2-4,7,9-10H2,1H3/t11-/m0/s1