2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(2-oxo-4-phenyl-pyrrolidin-1-yl)propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(2-oxo-4-phenyl-1-pyrrolidinyl)propyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-(2-oxo-4-phenylpyrrolidin-1-yl)propyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: homoveratryl-[3-(2-keto-4-phenyl-pyrrolidino)propyl]-methyl-ammonium binoxalate Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1CC(CC1=O)C2=CC=CC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CCCN1CC(CC1=O)C2=CC=CC=C2)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H32N2O3.C2H2O4/c1-25(15-12-19-10-11-22(28-2)23(16-19)29-3)13-7-14-26-18-21(17-24(26)27)20-8-5-4-6-9-20;3-1(4)2(5)6/h4-6,8-11,16,21H,7,12-15,17-18H2,1-3H3;(H,3,4)(H,5,6)