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

Systemtic Name: diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[2-[(2-heptoxyanilino)-oxomethoxy]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[2-[(2-heptoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium dibinoxalate Formula: C29H47N3O11 MolecularWeight: 613.69698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=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

CCCCCCCOC1=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/C25H43N3O3.2C2H2O4/c1-4-7-8-9-14-19-30-24-16-11-10-15-23(24)26-25(29)31-22(20-27(5-2)6-3)21-28-17-12-13-18-28;2*3-1(4)2(5)6/h10-11,15-16,22H,4-9,12-14,17-21H2,1-3H3,(H,26,29);2*(H,3,4)(H,5,6)