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

Systemtic Name: 4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-hexyl-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 4-hexyl-3-methyl-2,6-bis(4-methylphenyl)-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 4-hexyl-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol binoxalate Formula: C28H39NO5 MolecularWeight: 469.61296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC([NH2+]C(C1C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCC1(CC([NH2+]C(C1C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H37NO.C2H2O4/c1-5-6-7-8-17-26(28)18-24(22-13-9-19(2)10-14-22)27-25(21(26)4)23-15-11-20(3)12-16-23;3-1(4)2(5)6/h9-16,21,24-25,27-28H,5-8,17-18H2,1-4H3;(H,3,4)(H,5,6)