7-(1,3-benzothiazol-2-ylmethyl)-6-fluoranyl-2-oxidanylidene-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione

Systemtic Name: 7-(1,3-benzothiazol-2-ylmethyl)-6-fluoranyl-2-oxidanylidene-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Openeye Name: 7-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-2-oxo-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione CAS Name: 7-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-2-oxospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione IUPAC Name: 7-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-2-oxospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Traditional Name: 7-(1,3-benzothiazol-2-ylmethyl)-6-fluoro-2-keto-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Formula: C20H15FN3O4S+ MolecularWeight: 412.414203

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC12C3=C(C=C(C(C3=O)F)CC4=NC5=CC=CC=C5S4)C(=O)[N+](=O)C2=O

Isomeric SMILES

C1CNCC12C3=C(C=C(C(C3=O)F)CC4=NC5=CC=CC=C5S4)C(=O)[N+](=O)C2=O

InChI

InChI=1S/C20H15FN3O4S/c21-16-10(8-14-23-12-3-1-2-4-13(12)29-14)7-11-15(17(16)25)20(5-6-22-9-20)19(27)24(28)18(11)26/h1-4,7,16,22H,5-6,8-9H2/q+1