2-oxidanyl-2-oxidanylidene-ethanoate; 3-pyrrolidin-1-ium-1-ylpropyl N-(2-heptoxyphenyl)carbamate

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 3-pyrrolidin-1-ium-1-ylpropyl N-(2-heptoxyphenyl)carbamate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-pyrrolidin-1-ium-1-ylpropyl N-(2-heptoxyphenyl)carbamate CAS Name: N-(2-heptoxyphenyl)carbamic acid 3-(1-pyrrolidin-1-iumyl)propyl ester; 2-hydroxy-2-oxoacetate IUPAC Name: 2-hydroxy-2-oxoacetate; 3-pyrrolidin-1-ium-1-ylpropyl N-(2-heptoxyphenyl)carbamate Traditional Name: N-(2-heptoxyphenyl)carbamic acid 3-pyrrolidin-1-ium-1-ylpropyl ester binoxalate Formula: C23H36N2O7 MolecularWeight: 452.54114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCC2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCC2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H34N2O3.C2H2O4/c1-2-3-4-5-10-17-25-20-13-7-6-12-19(20)22-21(24)26-18-11-16-23-14-8-9-15-23;3-1(4)2(5)6/h6-7,12-13H,2-5,8-11,14-18H2,1H3,(H,22,24);(H,3,4)(H,5,6)