[2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] 4-(2-methylpropoxy)benzoate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] 4-(2-methylpropoxy)benzoate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl] 4-isobutoxybenzoate; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 4-(2-methylpropoxy)benzoic acid [2,2-dimethyl-5-(1-piperidin-1-iumylmethyl)-4-oxanyl] ester IUPAC Name: [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)oxan-4-yl] 4-(2-methylpropoxy)benzoate; 2-hydroxy-2-oxoacetate Traditional Name: 4-isobutoxybenzoic acid [2,2-dimethyl-5-(piperidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl] ester binoxalate Formula: C26H39NO8 MolecularWeight: 493.58976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2C[NH+]3CCCCC3)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2C[NH+]3CCCCC3)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H37NO4.C2H2O4/c1-18(2)16-27-21-10-8-19(9-11-21)23(26)29-22-14-24(3,4)28-17-20(22)15-25-12-6-5-7-13-25;3-1(4)2(5)6/h8-11,18,20,22H,5-7,12-17H2,1-4H3;(H,3,4)(H,5,6)