(3R)-1-(4-methylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-methylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(p-tolyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-methylphenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-methylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(p-tolyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O4S2/c1-14-4-6-15(7-5-14)22-17(23)13-16(19(22)24)20-8-10-21(11-9-20)28(25,26)18-3-2-12-27-18/h2-7,12,16H,8-11,13H2,1H3/p+1/t16-/m1/s1