(3S)-1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-phenoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-phenoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=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)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-25-19-24(28-17-15-27(16-18-28)20-7-3-1-4-8-20)26(31)29(25)21-11-13-23(14-12-21)32-22-9-5-2-6-10-22/h1-14,24H,15-19H2/p+1/t24-/m0/s1