(3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N3O4/c1-28-18-12-17(13-19(14-18)29-2)25-21(26)15-20(22(25)27)24-10-8-23(9-11-24)16-6-4-3-5-7-16/h3-7,12-14,20H,8-11,15H2,1-2H3/p+1/t20-/m1/s1