N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)ethanamide; methyl sulfate

Systemtic Name: N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)ethanamide; methyl sulfate Openeye Name: N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)acetamide; methyl sulfate CAS Name: N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)acetamide; methyl sulfate IUPAC Name: N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)acetamide; methyl sulfate Traditional Name: N-(2,3-dimethyl-1,3-benzothiazol-3-ium-7-yl)acetamide; methyl sulfate Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C(=CC=C2)NC(=O)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C(=CC=C2)NC(=O)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H12N2OS.CH4O4S/c1-7(14)12-9-5-4-6-10-11(9)15-8(2)13(10)3;1-5-6(2,3)4/h4-6H,1-3H3;1H3,(H,2,3,4)