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

Systemtic Name: (3S)-1-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-(1-pyrrolidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-bromophenyl)-3-pyrrolidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C14H16BrN2O2+ MolecularWeight: 324.19304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O2/c15-10-3-5-11(6-4-10)17-13(18)9-12(14(17)19)16-7-1-2-8-16/h3-6,12H,1-2,7-9H2/p+1/t12-/m0/s1