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

Systemtic Name: (3R)-1-(3-methylbutyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-isopentyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-methylbutyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-methylbutyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-isoamyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H25N3O4S2/c1-13(2)5-6-20-15(21)12-14(17(20)22)18-7-9-19(10-8-18)26(23,24)16-4-3-11-25-16/h3-4,11,13-14H,5-10,12H2,1-2H3/p+1/t14-/m1/s1