(3R)-1-(3-ethoxyphenyl)-3-[4-(4-ethylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-ethylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-ethylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-ethylsulfonylphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(4-ethylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-esylphenyl)piperazin-1-ium-1-yl]-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)CC

InChI

InChI=1S/C24H29N3O5S/c1-3-32-20-7-5-6-19(16-20)27-23(28)17-22(24(27)29)26-14-12-25(13-15-26)18-8-10-21(11-9-18)33(30,31)4-2/h5-11,16,22H,3-4,12-15,17H2,1-2H3/p+1/t22-/m1/s1