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

Systemtic Name: 6-(1,3-benzothiazol-2-ylmethyl)-2-oxidanylidene-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Openeye Name: 6-(1,3-benzothiazol-2-ylmethyl)-2-oxo-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione CAS Name: 6-(1,3-benzothiazol-2-ylmethyl)-2-oxospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione IUPAC Name: 6-(1,3-benzothiazol-2-ylmethyl)-2-oxospiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Traditional Name: 6-(1,3-benzothiazol-2-ylmethyl)-2-keto-spiro[6H-isoquinolin-2-ium-4,3'-pyrrolidine]-1,3,5-trione Formula: C20H16N3O4S+ MolecularWeight: 394.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N3O4S/c24-17-11(9-15-22-13-3-1-2-4-14(13)28-15)5-6-12-16(17)20(7-8-21-10-20)19(26)23(27)18(12)25/h1-6,11,21H,7-10H2/q+1