5-chloranyl-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione

Systemtic Name: 5-chloranyl-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isatin Formula: C20H20ClN2O4+ MolecularWeight: 387.8368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O)OC

InChI

InChI=1S/C20H19ClN2O4/c1-26-17-7-12-5-6-22(10-13(12)8-18(17)27-2)11-23-16-4-3-14(21)9-15(16)19(24)20(23)25/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1