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

Systemtic Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-phenyl-propyl]amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[3-(2,2-dimethyl-4-oxanyl)-3-phenylpropyl]amino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]amino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]amino]propyl-diethyl-ammonium binoxalate Formula: C25H42N2O5 MolecularWeight: 450.61138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O.C2H2O4/c1-5-25(6-2)17-10-15-24-16-13-22(20-11-8-7-9-12-20)21-14-18-26-23(3,4)19-21;3-1(4)2(5)6/h7-9,11-12,21-22,24H,5-6,10,13-19H2,1-4H3;(H,3,4)(H,5,6)