4-(2-methoxyphenyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-(2-methoxyphenyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(2-methoxyphenyl)-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol CAS Name: 2-hydroxy-2-oxoacetate; 4-(2-methoxyphenyl)-3-methyl-2,6-bis(4-methylphenyl)-4-piperidin-1-iumol IUPAC Name: 2-hydroxy-2-oxoacetate; 4-(2-methoxyphenyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol Traditional Name: 4-(2-methoxyphenyl)-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol binoxalate Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1(C2=CC=CC=C2OC)O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C([NH2+]C(CC1(C2=CC=CC=C2OC)O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C27H31NO2.C2H2O4/c1-18-9-13-21(14-10-18)24-17-27(29,23-7-5-6-8-25(23)30-4)20(3)26(28-24)22-15-11-19(2)12-16-22;3-1(4)2(5)6/h5-16,20,24,26,28-29H,17H2,1-4H3;(H,3,4)(H,5,6)