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

Systemtic Name: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium binoxalate Formula: C24H30ClNO6 MolecularWeight: 463.9511

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CCCCC3=CC=C(C=C3)Cl)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C2=CC(=C(C=C2CC[NH+]1CCCCC3=CC=C(C=C3)Cl)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H28ClNO2.C2H2O4/c1-16-20-15-22(26-3)21(25-2)14-18(20)11-13-24(16)12-5-4-6-17-7-9-19(23)10-8-17;3-1(4)2(5)6/h7-10,14-16H,4-6,11-13H2,1-3H3;(H,3,4)(H,5,6)