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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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