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

Systemtic Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione Openeye Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indoline-2,3-dione CAS Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione IUPAC Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]indole-2,3-dione Traditional Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]isatin Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4C(=O)C3=O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4C(=O)C3=O)OC

InChI

InChI=1S/C20H20N2O4/c1-25-17-9-13-7-8-21(11-14(13)10-18(17)26-2)12-22-16-6-4-3-5-15(16)19(23)20(22)24/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1