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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-oxidanidyl-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-oxido-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-oxidospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-oxidospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-oxido-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC12C3=C(C=CCC3=O)C(=O)[N+](C2=O)(CC4=NC5=CC=CC=C5S4)[O-]

Isomeric SMILES

C1CNCC12C3=C(C=CCC3=O)C(=O)[N+](C2=O)(CC4=NC5=CC=CC=C5S4)[O-]

InChI

InChI=1S/C20H17N3O4S/c24-14-6-3-4-12-17(14)20(8-9-21-11-20)19(26)23(27,18(12)25)10-16-22-13-5-1-2-7-15(13)28-16/h1-5,7,21H,6,8-11H2