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

Systemtic Name: (3R)-1-(3-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-bromophenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-bromophenyl)-3-[4-(2-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=CC=C1N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O3/c1-28-19-8-3-2-7-17(19)23-9-11-24(12-10-23)18-14-20(26)25(21(18)27)16-6-4-5-15(22)13-16/h2-8,13,18H,9-12,14H2,1H3/p+1/t18-/m1/s1