ethanedioic acid; 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethyl-ethanamine

Systemtic Name: ethanedioic acid; 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]ethyl-dimethyl-amine; oxalic acid Formula: C24H28N2O9 MolecularWeight: 488.48712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O.2C2H2O4/c1-22(2)12-11-17-13-15-7-4-5-10-19(15)20(21-17)16-8-6-9-18(14-16)23-3;2*3-1(4)2(5)6/h4-10,14,17H,11-13H2,1-3H3;2*(H,3,4)(H,5,6)