2-naphthalen-1-ylpent-4-enyl(2-pyrrolidin-1-ium-2-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-naphthalen-1-ylpent-4-enyl(2-pyrrolidin-1-ium-2-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-(1-naphthyl)pent-4-enyl-(2-pyrrolidin-1-ium-2-ylethyl)ammonium CAS Name: 2-hydroxy-2-oxoacetate; 2-(1-naphthalenyl)pent-4-enyl-[2-(2-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-naphthalen-1-ylpent-4-enyl(2-pyrrolidin-1-ium-2-ylethyl)azanium Traditional Name: 2-(1-naphthyl)pent-4-enyl-(2-pyrrolidin-1-ium-2-ylethyl)ammonium dibinoxalate Formula: C25H32N2O8 MolecularWeight: 488.53018

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C[NH2+]CCC1CCC[NH2+]1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C=CCC(C[NH2+]CCC1CCC[NH2+]1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H28N2.2C2H2O4/c1-2-7-18(16-22-15-13-19-10-6-14-23-19)21-12-5-9-17-8-3-4-11-20(17)21;2*3-1(4)2(5)6/h2-5,8-9,11-12,18-19,22-23H,1,6-7,10,13-16H2;2*(H,3,4)(H,5,6)