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

Systemtic Name: 4-butyl-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-butyl-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 4-butyl-3-methyl-2,6-diphenyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 4-butyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 4-butyl-3-methyl-2,6-diphenyl-piperidin-1-ium-4-ol binoxalate Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC([NH2+]C(C1C)C2=CC=CC=C2)C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1(CC([NH2+]C(C1C)C2=CC=CC=C2)C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H29NO.C2H2O4/c1-3-4-15-22(24)16-20(18-11-7-5-8-12-18)23-21(17(22)2)19-13-9-6-10-14-19;3-1(4)2(5)6/h5-14,17,20-21,23-24H,3-4,15-16H2,1-2H3;(H,3,4)(H,5,6)