(3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-quinone Formula: C19H19N2O2+ MolecularWeight: 307.36636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H]3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O2/c22-18-12-17(19(23)21(18)16-8-2-1-3-9-16)20-11-10-14-6-4-5-7-15(14)13-20/h1-9,17H,10-13H2/p+1/t17-/m0/s1