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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O.C2H2O4/c1-21(2)17-19(12-16-24-21)20(18-9-6-5-7-10-18)11-14-22-13-8-15-23(3)4;3-1(4)2(5)6/h5-7,9-10,19-20,22H,8,11-17H2,1-4H3;(H,3,4)(H,5,6)