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

Systemtic Name: (3S)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-(4-ethyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C16H21BrN3O2+ MolecularWeight: 367.26084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H20BrN3O2/c1-2-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(17)4-6-13/h3-6,14H,2,7-11H2,1H3/p+1/t14-/m0/s1