2-oxidanylpropane-1,2,3-tricarboxylate; 2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-one

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-one Openeye Name: 1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-one citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-hydroxy-2,2,6,6-tetramethyl-4-piperidin-1-iumone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one Traditional Name: 1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-one citrate Formula: C33H59N3O13 MolecularWeight: 705.83386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.CC1(CC(=O)CC([NH+]1O)(C)C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/3C9H17NO2.C6H8O7/c3*1-8(2)5-7(11)6-9(3,4)10(8)12;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*12H,5-6H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)