3-[2-[4-(2-methoxyphenyl)-2-propan-2-yl-oxan-4-yl]ethanoylamino]propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[2-[4-(2-methoxyphenyl)-2-propan-2-yl-oxan-4-yl]ethanoylamino]propyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-[[2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydropyran-4-yl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 2-hydroxy-2-oxoacetate; 3-[[2-[4-(2-methoxyphenyl)-2-propan-2-yl-4-oxanyl]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; 3-[[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[2-isopropyl-4-(2-methoxyphenyl)tetrahydropyran-4-yl]acetyl]amino]propyl-dimethyl-ammonium binoxalate Formula: C24H38N2O7 MolecularWeight: 466.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)(CC(=O)NCCC[NH+](C)C)C2=CC=CC=C2OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)C1CC(CCO1)(CC(=O)NCCC[NH+](C)C)C2=CC=CC=C2OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H36N2O3.C2H2O4/c1-17(2)20-15-22(11-14-27-20,18-9-6-7-10-19(18)26-5)16-21(25)23-12-8-13-24(3)4;3-1(4)2(5)6/h6-7,9-10,17,20H,8,11-16H2,1-5H3,(H,23,25);(H,3,4)(H,5,6)