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

Systemtic Name: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[2-[oxo-(2-pentoxyanilino)methoxy]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[2-[(2-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(2-amoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]-diethyl-ammonium dibinoxalate Formula: C27H43N3O11 MolecularWeight: 585.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C23H39N3O3.2C2H2O4/c1-4-7-12-17-28-22-14-9-8-13-21(22)24-23(27)29-20(18-25(5-2)6-3)19-26-15-10-11-16-26;2*3-1(4)2(5)6/h8-9,13-14,20H,4-7,10-12,15-19H2,1-3H3,(H,24,27);2*(H,3,4)(H,5,6)