1-(2-hydroxyethyl)-2,5-dimethyl-piperidin-1-ium-4-one; 2,4,6-trinitrophenolate

Systemtic Name: 1-(2-hydroxyethyl)-2,5-dimethyl-piperidin-1-ium-4-one; 2,4,6-trinitrophenolate Openeye Name: 1-(2-hydroxyethyl)-2,5-dimethyl-piperidin-1-ium-4-one; 2,4,6-trinitrophenolate CAS Name: 1-(2-hydroxyethyl)-2,5-dimethyl-4-piperidin-1-iumone; 2,4,6-trinitrophenolate IUPAC Name: 1-(2-hydroxyethyl)-2,5-dimethylpiperidin-1-ium-4-one; 2,4,6-trinitrophenolate Traditional Name: 1-(2-hydroxyethyl)-2,5-dimethyl-piperidin-1-ium-4-one picrate Formula: C15H20N4O9 MolecularWeight: 400.3407

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C[NH+]1CCO)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)C(C[NH+]1CCO)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H17NO2.C6H3N3O7/c1-7-6-10(3-4-11)8(2)5-9(7)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,11H,3-6H2,1-2H3;1-2,10H