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

Systemtic Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]propyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[3-(2,2-dimethyl-4-oxanyl)-3-(4-methylphenyl)-1-oxopropyl]amino]propyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]propyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]propyl-dimethyl-ammonium binoxalate Formula: C24H38N2O6 MolecularWeight: 450.56832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2.C2H2O4/c1-17-7-9-18(10-8-17)20(19-11-14-26-22(2,3)16-19)15-21(25)23-12-6-13-24(4)5;3-1(4)2(5)6/h7-10,19-20H,6,11-16H2,1-5H3,(H,23,25);(H,3,4)(H,5,6)