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

Systemtic Name: [2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-yl] benzoate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)tetrahydropyran-4-yl] benzoate; 2-hydroxy-2-oxo-acetate CAS Name: benzoic acid [2,2-dimethyl-5-(4-morpholin-4-iumylmethyl)-4-oxanyl] ester; 2-hydroxy-2-oxoacetate IUPAC Name: [2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-yl] benzoate; 2-hydroxy-2-oxoacetate Traditional Name: benzoic acid [2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)tetrahydropyran-4-yl] ester binoxalate Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(CO1)C[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC(C(CO1)C[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H27NO4.C2H2O4/c1-19(2)12-17(24-18(21)15-6-4-3-5-7-15)16(14-23-19)13-20-8-10-22-11-9-20;3-1(4)2(5)6/h3-7,16-17H,8-14H2,1-2H3;(H,3,4)(H,5,6)