(3R)-1-(4-methoxyphenyl)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-methoxyphenyl)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-methoxyphenyl)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-methoxyphenyl)-3-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-methoxyphenyl)-3-[4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-methoxyphenyl)-3-[4-(4-pyrrolidinosulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H30N4O5S/c1-34-21-8-4-20(5-9-21)29-24(30)18-23(25(29)31)27-16-14-26(15-17-27)19-6-10-22(11-7-19)35(32,33)28-12-2-3-13-28/h4-11,23H,2-3,12-18H2,1H3/p+1/t23-/m1/s1