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

Systemtic Name: 1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione Openeye Name: 1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indoline-2,3-dione CAS Name: 1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione IUPAC Name: 1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione Traditional Name: 1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isatin Formula: C21H23N2O4+ MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CN3C4=CC=CC=C4C(=O)C3=O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CN3C4=CC=CC=C4C(=O)C3=O)OC)OC

InChI

InChI=1S/C21H22N2O4/c1-13-16-11-19(27-3)18(26-2)10-14(16)8-9-22(13)12-23-17-7-5-4-6-15(17)20(24)21(23)25/h4-7,10-11,13H,8-9,12H2,1-3H3/p+1/t13-/m0/s1