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

Systemtic Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]butoxy]phenyl]ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]butoxy]phenyl]ethanone CAS Name: 2-hydroxy-2-oxoacetate; 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)-1-pyrrolidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]butoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-ium-1-yl]butoxy]phenyl]ethanone binoxalate Formula: C26H33NO9 MolecularWeight: 503.54152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5.C2H2O4/c1-18(26)19-10-11-22(24(16-19)28-3)29-15-7-6-13-25-14-12-20(17-25)30-23-9-5-4-8-21(23)27-2;3-1(4)2(5)6/h4-5,8-11,16,20H,6-7,12-15,17H2,1-3H3;(H,3,4)(H,5,6)