3,5-dimethyl-2,4,6-triphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3,5-dimethyl-2,4,6-triphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3,5-dimethyl-2,4,6-triphenyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 3,5-dimethyl-2,4,6-triphenyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 3,5-dimethyl-2,4,6-triphenylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 3,5-dimethyl-2,4,6-triphenyl-piperidin-1-ium-4-ol binoxalate Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1(C2=CC=CC=C2)O)C)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C([NH2+]C(C(C1(C2=CC=CC=C2)O)C)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H27NO.C2H2O4/c1-18-23(20-12-6-3-7-13-20)26-24(21-14-8-4-9-15-21)19(2)25(18,27)22-16-10-5-11-17-22;3-1(4)2(5)6/h3-19,23-24,26-27H,1-2H3;(H,3,4)(H,5,6)