(3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-4-hydroxy-2-methyl-4-oxanyl)ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)ethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl-veratryl-ammonium binoxalate Formula: C21H33NO8 MolecularWeight: 427.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)O)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1(CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)O)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H31NO4.C2H2O4/c1-5-18(2)14-19(21,9-11-24-18)8-10-20-13-15-6-7-16(22-3)17(12-15)23-4;3-1(4)2(5)6/h6-7,12,20-21H,5,8-11,13-14H2,1-4H3;(H,3,4)(H,5,6)