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

Systemtic Name: 4-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[(3S)-3-[diethylamino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H27N3O5 MolecularWeight: 365.42408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-4-20(5-2)18(23)14-7-6-8-19(12-14)11-13-9-15(21(24)25)17(22)16(10-13)26-3/h9-10,14,22H,4-8,11-12H2,1-3H3/t14-/m0/s1