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

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C4CC(=O)NC4=O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)[C@H]4CC(=O)NC4=O

InChI

InChI=1S/C16H17N3O2S/c20-14-9-12(15(21)18-14)19-7-5-10(6-8-19)16-17-11-3-1-2-4-13(11)22-16/h1-4,10,12H,5-9H2,(H,18,20,21)/p+1/t12-/m0/s1