2-[6-methoxycarbonyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[6-methoxycarbonyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-(6-methoxycarbonyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl-dimethyl-ammonium CAS Name: 2-(6-methoxycarbonyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl-dimethylammonium IUPAC Name: 2-(6-methoxycarbonyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl-dimethylazanium Traditional Name: 2-(6-carbomethoxy-1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl-dimethyl-ammonium Formula: C13H17N2O5S+ MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H16N2O5S/c1-14(2)6-7-15-12(16)10-5-4-9(13(17)20-3)8-11(10)21(15,18)19/h4-5,8H,6-7H2,1-3H3/p+1