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

Systemtic Name: 2-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-nitro-phenolate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-10-4-3-5-15(8-10)9-11-6-12(16(18)19)14(17)13(7-11)20-2/h6-7,10,17H,3-5,8-9H2,1-2H3/t10-/m0/s1