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

Systemtic Name: (3S)-1-(2-bromophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2-bromophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(2-bromophenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2-bromophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2-bromophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O2/c21-16-8-4-5-9-17(16)24-19(25)14-18(20(24)26)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,18H,10-14H2/p+1/t18-/m0/s1