1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone CAS Name: 2-hydroxy-2-oxoacetate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)-1-pyrrolidin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]propoxy]phenyl]ethanone binoxalate Formula: C25H31NO9 MolecularWeight: 489.51494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCC[NH+]2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H29NO5.C2H2O4/c1-17(25)18-9-10-21(23(15-18)27-3)28-14-6-12-24-13-11-19(16-24)29-22-8-5-4-7-20(22)26-2;3-1(4)2(5)6/h4-5,7-10,15,19H,6,11-14,16H2,1-3H3;(H,3,4)(H,5,6)