5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)tetrahydrofuran-2-one; 2-hydroxy-2-oxo-acetate CAS Name: 5-(butoxymethyl)-3-[4-(1-piperidin-1-iumyl)but-2-ynyl]-2-oxolanone; 2-hydroxy-2-oxoacetate IUPAC Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)oxolan-2-one; 2-hydroxy-2-oxoacetate Traditional Name: 5-(butoxymethyl)-3-(4-piperidin-1-ium-1-ylbut-2-ynyl)tetrahydrofuran-2-one binoxalate Formula: C20H31NO7 MolecularWeight: 397.46264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1CC(C(=O)O1)CC#CC[NH+]2CCCCC2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCOCC1CC(C(=O)O1)CC#CC[NH+]2CCCCC2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H29NO3.C2H2O4/c1-2-3-13-21-15-17-14-16(18(20)22-17)9-5-8-12-19-10-6-4-7-11-19;3-1(4)2(5)6/h16-17H,2-4,6-7,9-15H2,1H3;(H,3,4)(H,5,6)