(3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-phenethyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-quinone Formula: C21H23N2O2+ MolecularWeight: 335.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C3CC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c24-20-14-19(22-12-11-17-8-4-5-9-18(17)15-22)21(25)23(20)13-10-16-6-2-1-3-7-16/h1-9,19H,10-15H2/p+1/t19-/m1/s1