3-[1-(2,2-dimethyl-4-phenyl-oxan-4-yl)propan-2-ylamino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[1-(2,2-dimethyl-4-phenyl-oxan-4-yl)propan-2-ylamino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)-1-methyl-ethyl]amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[1-(2,2-dimethyl-4-phenyl-4-oxanyl)propan-2-ylamino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[1-(2,2-dimethyl-4-phenyloxan-4-yl)propan-2-ylamino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)-1-methyl-ethyl]amino]propyl-diethyl-ammonium binoxalate Formula: C25H42N2O5 MolecularWeight: 450.61138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(C)CC1(CCOC(C1)(C)C)C2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCCNC(C)CC1(CCOC(C1)(C)C)C2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H40N2O.C2H2O4/c1-6-25(7-2)16-11-15-24-20(3)18-23(21-12-9-8-10-13-21)14-17-26-22(4,5)19-23;3-1(4)2(5)6/h8-10,12-13,20,24H,6-7,11,14-19H2,1-5H3;(H,3,4)(H,5,6)