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

Systemtic Name: (3R)-1-(4-butylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-butylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-butylphenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-butylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-butylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H28N3O4S2+ MolecularWeight: 462.60542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c1-2-3-5-17-7-9-18(10-8-17)25-20(26)16-19(22(25)27)23-11-13-24(14-12-23)31(28,29)21-6-4-15-30-21/h4,6-10,15,19H,2-3,5,11-14,16H2,1H3/p+1/t19-/m1/s1