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

Systemtic Name: 4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-3-24-16(20)12-5-4-6-17(10-12)9-11-7-13(18(21)22)15(19)14(8-11)23-2/h7-8,12,19H,3-6,9-10H2,1-2H3/t12-/m0/s1