(3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-bromophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H23BrN3O3+ MolecularWeight: 445.32962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O3/c1-28-18-8-6-16(7-9-18)23-10-12-24(13-11-23)19-14-20(26)25(21(19)27)17-4-2-15(22)3-5-17/h2-9,19H,10-14H2,1H3/p+1/t19-/m0/s1