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

Systemtic Name: (3S)-1-(4-bromophenyl)-3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-quinone Formula: C27H27BrN3O2+ MolecularWeight: 505.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26BrN3O2/c28-22-11-13-23(14-12-22)31-25(32)19-24(27(31)33)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24,26H,15-19H2/p+1/t24-/m0/s1