2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C21H20N3O2S+ MolecularWeight: 378.4674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S/c25-20-14-6-1-2-7-15(14)21(26)24(20)13-12-23-11-5-9-17(23)19-22-16-8-3-4-10-18(16)27-19/h1-4,6-8,10,17H,5,9,11-13H2/p+1/t17-/m1/s1