2-[4-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate

Systemtic Name: 2-[4-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Openeye Name: 2-[4-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate CAS Name: 2-[4-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]phenolate IUPAC Name: 2-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Traditional Name: 2-[4-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3/c21-14-5-7-15(8-6-14)24-19(26)13-17(20(24)27)23-11-9-22(10-12-23)16-3-1-2-4-18(16)25/h1-8,17,25H,9-13H2