2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[3-(2,2-dimethyl-4-oxanyl)-3-(4-methylphenyl)-1-oxopropyl]amino]ethyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium binoxalate Formula: C23H36N2O6 MolecularWeight: 436.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCC[NH+](C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NCC[NH+](C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H34N2O2.C2H2O4/c1-16-6-8-17(9-7-16)19(14-20(24)22-11-12-23(4)5)18-10-13-25-21(2,3)15-18;3-1(4)2(5)6/h6-9,18-19H,10-15H2,1-5H3,(H,22,24);(H,3,4)(H,5,6)