(2R)-3,3-dinitro-2-phenyl-piperidin-1-ium-2-carboxylate

Systemtic Name: (2R)-3,3-dinitro-2-phenyl-piperidin-1-ium-2-carboxylate Openeye Name: (2R)-3,3-dinitro-2-phenyl-piperidin-1-ium-2-carboxylate CAS Name: (2R)-3,3-dinitro-2-phenyl-2-piperidin-1-iumcarboxylate IUPAC Name: (2R)-3,3-dinitro-2-phenylpiperidin-1-ium-2-carboxylate Traditional Name: (2R)-3,3-dinitro-2-phenyl-piperidin-1-ium-2-carboxylate Formula: C12H13N3O6 MolecularWeight: 295.24812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([NH2+]C1)(C2=CC=CC=C2)C(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC([C@]([NH2+]C1)(C2=CC=CC=C2)C(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c16-10(17)12(9-5-2-1-3-6-9)11(14(18)19,15(20)21)7-4-8-13-12/h1-3,5-6,13H,4,7-8H2,(H,16,17)/t12-/m0/s1