1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]isatin Formula: C20H18N3O2S+ MolecularWeight: 364.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H17N3O2S/c24-18-13-6-1-3-8-15(13)23(20(18)25)12-22-11-5-9-16(22)19-21-14-7-2-4-10-17(14)26-19/h1-4,6-8,10,16H,5,9,11-12H2/p+1/t16-/m1/s1