[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ethanoate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [7-acetoxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate; 2-hydroxy-2-oxo-acetate CAS Name: acetic acid [7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ester; 2-hydroxy-2-oxoacetate IUPAC Name: [7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate; 2-hydroxy-2-oxoacetate Traditional Name: acetic acid [7-acetoxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ester binoxalate Formula: C24H26ClNO8 MolecularWeight: 491.91814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H24ClNO4.C2H2O4/c1-14(25)27-21-12-17-10-11-24(3)20(19(17)13-22(21)28-15(2)26)9-6-16-4-7-18(23)8-5-16;3-1(4)2(5)6/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3;(H,3,4)(H,5,6)