diethyl-[2-[(2-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: diethyl-[2-[(2-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[2-[(2-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[2-[(2-hexoxyanilino)-oxomethoxy]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[2-[(2-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[2-[(2-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium dibinoxalate Formula: C28H45N3O11 MolecularWeight: 599.6704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H41N3O3.2C2H2O4/c1-4-7-8-13-18-29-23-15-10-9-14-22(23)25-24(28)30-21(19-26(5-2)6-3)20-27-16-11-12-17-27;2*3-1(4)2(5)6/h9-10,14-15,21H,4-8,11-13,16-20H2,1-3H3,(H,25,28);2*(H,3,4)(H,5,6)