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

Systemtic Name: (3S)-1-(4-phenoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-phenoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-phenoxyphenyl)-3-(1-pyrrolidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-phenoxyphenyl)-3-pyrrolidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-phenoxyphenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3/c23-19-14-18(21-12-4-5-13-21)20(24)22(19)15-8-10-17(11-9-15)25-16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14H2/p+1/t18-/m0/s1