1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C14H20N2O6S MolecularWeight: 344.3834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C7H5NO3S.C7H15NO3/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-8(2,3)5-6(9)4-7(10)11/h1-4H,(H,8,9);6,9H,4-5H2,1-3H3/t;6-/m.1/s1