(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)NC2=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)NC2=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C15H16N4O2S/c20-13-9-11(14(21)17-13)18-5-7-19(8-6-18)15-16-10-3-1-2-4-12(10)22-15/h1-4,11H,5-9H2,(H,17,20,21)/p+1/t11-/m0/s1