4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 4-butyl-3-methyl-2,6-diphenyl-5-propyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 4-butyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol binoxalate Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C([NH2+]C(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1(C(C([NH2+]C(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H35NO.C2H2O4/c1-4-6-18-25(27)19(3)23(20-14-9-7-10-15-20)26-24(22(25)13-5-2)21-16-11-8-12-17-21;3-1(4)2(5)6/h7-12,14-17,19,22-24,26-27H,4-6,13,18H2,1-3H3;(H,3,4)(H,5,6)