(3R)-3-phenyl-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-phenyl-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-phenyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione CAS Name: (3R)-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-3-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-phenyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-phenyl-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-quinone Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)CC(C2=O)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C[C@@H](C2=O)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c24-18-13-16(15-5-2-1-3-6-15)19(25)23(18)14-21-8-10-22(11-9-21)20(26)17-7-4-12-27-17/h1-7,12,16H,8-11,13-14H2/p+1/t16-/m1/s1