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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-28-19-9-8-17(14-20(19)29-2)25-21(26)15-18(22(25)27)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14,18H,10-13,15H2,1-2H3/p+1/t18-/m0/s1