4-methyl-2,6-diphenyl-3-propan-2-yl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-methyl-2,6-diphenyl-3-propan-2-yl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-isopropyl-4-methyl-2,6-diphenyl-piperidin-1-ium-4-ol CAS Name: 2-hydroxy-2-oxoacetate; 4-methyl-2,6-diphenyl-3-propan-2-yl-4-piperidin-1-iumol IUPAC Name: 2-hydroxy-2-oxoacetate; 4-methyl-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ol Traditional Name: 3-isopropyl-4-methyl-2,6-diphenyl-piperidin-1-ium-4-ol binoxalate Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C([NH2+]C(CC1(C)O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)C1C([NH2+]C(CC1(C)O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-15(2)19-20(17-12-8-5-9-13-17)22-18(14-21(19,3)23)16-10-6-4-7-11-16;3-1(4)2(5)6/h4-13,15,18-20,22-23H,14H2,1-3H3;(H,3,4)(H,5,6)