(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O4/c26-21-15-18(24-10-8-23(9-11-24)16-4-2-1-3-5-16)22(27)25(21)17-6-7-19-20(14-17)29-13-12-28-19/h1-7,14,18H,8-13,15H2/p+1/t18-/m1/s1