2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]isoindoline-1,3-quinone Formula: C22H25N2O4+ MolecularWeight: 381.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H24N2O4/c1-27-19-12-15-8-11-23(14-16(15)13-20(19)28-2)9-5-10-24-21(25)17-6-3-4-7-18(17)22(24)26/h3-4,6-7,12-13H,5,8-11,14H2,1-2H3/p+1