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

Systemtic Name: 5-bromanyl-1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isatin Formula: C21H22BrN2O4+ MolecularWeight: 446.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CN3C4=C(C=C(C=C4)Br)C(=O)C3=O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CN3C4=C(C=C(C=C4)Br)C(=O)C3=O)OC)OC

InChI

InChI=1S/C21H21BrN2O4/c1-12-15-10-19(28-3)18(27-2)8-13(15)6-7-23(12)11-24-17-5-4-14(22)9-16(17)20(25)21(24)26/h4-5,8-10,12H,6-7,11H2,1-3H3/p+1/t12-/m0/s1