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

Systemtic Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-phenyl-propyl]amino]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]amino]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[3-(2,2-dimethyl-4-oxanyl)-3-phenylpropyl]amino]ethyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]amino]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]amino]ethyl-dimethyl-ammonium binoxalate Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CCNCC[NH+](C)C)C2=CC=CC=C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC(CCO1)C(CCNCC[NH+](C)C)C2=CC=CC=C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H34N2O.C2H2O4/c1-20(2)16-18(11-15-23-20)19(17-8-6-5-7-9-17)10-12-21-13-14-22(3)4;3-1(4)2(5)6/h5-9,18-19,21H,10-16H2,1-4H3;(H,3,4)(H,5,6)