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

Systemtic Name: (3S)-1-(3-bromophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-bromophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-bromophenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-bromophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-bromophenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C18H19BrN5O2+ MolecularWeight: 417.27976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=NC=CC=N4

InChI

InChI=1S/C18H18BrN5O2/c19-13-3-1-4-14(11-13)24-16(25)12-15(17(24)26)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h1-6,11,15H,7-10,12H2/p+1/t15-/m0/s1