1-(3,4-dimethoxyphenyl)but-3-enyl-(3-morpholin-4-ium-4-ylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-(3-morpholin-4-ium-4-ylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-(3-morpholin-4-ium-4-ylpropyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-[3-(4-morpholin-4-iumyl)propyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-(3-morpholin-4-ium-4-ylpropyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-(3-morpholin-4-ium-4-ylpropyl)ammonium dibinoxalate Formula: C23H34N2O11 MolecularWeight: 514.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)[NH2+]CCC[NH+]2CCOCC2)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC=C)[NH2+]CCC[NH+]2CCOCC2)OC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H30N2O3.2C2H2O4/c1-4-6-17(16-7-8-18(22-2)19(15-16)23-3)20-9-5-10-21-11-13-24-14-12-21;2*3-1(4)2(5)6/h4,7-8,15,17,20H,1,5-6,9-14H2,2-3H3;2*(H,3,4)(H,5,6)