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

Systemtic Name: (3S)-1-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-phenoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pyrrolidine-2,5-quinone Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O3/c28-24-16-23(26-15-14-18-6-4-5-7-19(18)17-26)25(29)27(24)20-10-12-22(13-11-20)30-21-8-2-1-3-9-21/h1-13,23H,14-17H2/p+1/t23-/m0/s1