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

Systemtic Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propyl]amino]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propyl]amino]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[3-(2,2-dimethyl-4-oxanyl)-3-(4-methylphenyl)propyl]amino]ethyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propyl]amino]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propyl]amino]ethyl-dimethyl-ammonium binoxalate Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O.C2H2O4/c1-17-6-8-18(9-7-17)20(10-12-22-13-14-23(4)5)19-11-15-24-21(2,3)16-19;3-1(4)2(5)6/h6-9,19-20,22H,10-16H2,1-5H3;(H,3,4)(H,5,6)