1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-hydroxy-2-oxo-acetate CAS Name: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol binoxalate Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2O)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2O)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H22ClNO2.C2H2O4/c1-21-12-11-16-15(8-10-18(23-2)19(16)22)17(21)9-5-13-3-6-14(20)7-4-13;3-1(4)2(5)6/h3-4,6-8,10,17,22H,5,9,11-12H2,1-2H3;(H,3,4)(H,5,6)