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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CC(C2=O)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C[C@@H](C2=O)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N2O2/c1-14-7-8-15(2)18(11-14)23-20(24)12-19(21(23)25)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11,19H,9-10,12-13H2,1-2H3/p+1/t19-/m0/s1