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

Systemtic Name: 2-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]piperidin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 2-[2-[[2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propyl]thio]ethyl]piperidin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidin-1-ium Traditional Name: 2-[2-[[2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propyl]thio]ethyl]piperidin-1-ium binoxalate Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)CCSCC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH2+]C(C1)CCSCC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H35NOS.C2H2O4/c1-2-12-25-21(7-1)8-5-9-22(25)17-20(18-24-11-6-15-27-24)19-28-16-13-23-10-3-4-14-26-23;3-1(4)2(5)6/h1-2,5,7-9,12,20,23-24,26H,3-4,6,10-11,13-19H2;(H,3,4)(H,5,6)