1,3-benzothiazol-3-ium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1,3-benzothiazol-3-ium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1,3-benzothiazol-3-ium; 2-(trimethylammonio)acetate CAS Name: 1,3-benzothiazol-3-ium; 2-(trimethylammonio)acetate IUPAC Name: 1,3-benzothiazol-3-ium; 2-(trimethylazaniumyl)acetate Traditional Name: 1,3-benzothiazol-3-ium; 2-(trimethylammonio)acetate Formula: C12H17N2O2S+ MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/C7H5NS.C5H11NO2/c1-2-4-7-6(3-1)8-5-9-7;1-6(2,3)4-5(7)8/h1-5H;4H2,1-3H3/p+1