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

Systemtic Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]propyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]propyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-[[3-(2,2-dimethyl-4-oxanyl)-3-(4-methylphenyl)-1-oxopropyl]amino]propyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanoyl]amino]propyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-[[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(p-tolyl)propanoyl]amino]propyl-diethyl-ammonium binoxalate Formula: C26H42N2O6 MolecularWeight: 478.62148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O2.C2H2O4/c1-6-26(7-2)15-8-14-25-23(27)17-22(20-11-9-19(3)10-12-20)21-13-16-28-24(4,5)18-21;3-1(4)2(5)6/h9-12,21-22H,6-8,13-18H2,1-5H3,(H,25,27);(H,3,4)(H,5,6)