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

Systemtic Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propyl]amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propyl]amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[3-(2,2-dimethyl-4-oxanyl)-3-(4-methylphenyl)propyl]amino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propyl]amino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propyl]amino]propyl-diethyl-ammonium binoxalate Formula: C26H44N2O5 MolecularWeight: 464.63796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNCCC(C1CCOC(C1)(C)C)C2=CC=C(C=C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCCNCCC(C1CCOC(C1)(C)C)C2=CC=C(C=C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H42N2O.C2H2O4/c1-6-26(7-2)17-8-15-25-16-13-23(21-11-9-20(3)10-12-21)22-14-18-27-24(4,5)19-22;3-1(4)2(5)6/h9-12,22-23,25H,6-8,13-19H2,1-5H3;(H,3,4)(H,5,6)