2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(2-ethyl-4-hydroxy-2-methyl-4-oxanyl)ethyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-[2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)ethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl]ammonium binoxalate Formula: C19H29NO6 MolecularWeight: 367.43666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2.C2H2O4/c1-3-16(2)14-17(19,10-12-20-16)9-11-18-13-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,18-19H,3,9-14H2,1-2H3;(H,3,4)(H,5,6)