[(E)-2-naphthalen-1-ylhex-4-enyl]-(2-piperidin-1-ium-1-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [(E)-2-naphthalen-1-ylhex-4-enyl]-(2-piperidin-1-ium-1-ylethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [(E)-2-(1-naphthyl)hex-4-enyl]-(2-piperidin-1-ium-1-ylethyl)ammonium CAS Name: 2-hydroxy-2-oxoacetate; [(E)-2-(1-naphthalenyl)hex-4-enyl]-[2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; [(E)-2-naphthalen-1-ylhex-4-enyl]-(2-piperidin-1-ium-1-ylethyl)azanium Traditional Name: [(E)-2-(1-naphthyl)hex-4-enyl]-(2-piperidin-1-ium-1-ylethyl)ammonium dibinoxalate Formula: C27H36N2O8 MolecularWeight: 516.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C[NH2+]CC[NH+]1CCCCC1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C/C=C/CC(C[NH2+]CC[NH+]1CCCCC1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H32N2.2C2H2O4/c1-2-3-10-21(19-24-15-18-25-16-7-4-8-17-25)23-14-9-12-20-11-5-6-13-22(20)23;2*3-1(4)2(5)6/h2-3,5-6,9,11-14,21,24H,4,7-8,10,15-19H2,1H3;2*(H,3,4)(H,5,6)/b3-2+;;