[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]-(2-piperidin-1-ium-1-ylethyl)ammonium CAS Name: 2-hydroxy-2-oxoacetate; [2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propyl]-[2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; [2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium Traditional Name: [2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propyl]-(2-piperidin-1-ium-1-ylethyl)ammonium dibinoxalate Formula: C29H40N2O9 MolecularWeight: 560.6359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[NH2+]CC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CC[NH2+]CC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H36N2O.2C2H2O4/c1-4-14-27(15-5-1)16-13-26-20-21(19-24-11-7-17-28-24)18-23-10-6-9-22-8-2-3-12-25(22)23;2*3-1(4)2(5)6/h2-3,6,8-10,12,21,24,26H,1,4-5,7,11,13-20H2;2*(H,3,4)(H,5,6)