N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)ethanamide; 4-methylbenzenesulfonate

Systemtic Name: N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)ethanamide; 4-methylbenzenesulfonate Openeye Name: N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)acetamide; 4-methylbenzenesulfonate CAS Name: N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)acetamide; 4-methylbenzenesulfonate IUPAC Name: N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)acetamide; 4-methylbenzenesulfonate Traditional Name: N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)acetamide tosylate Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)NC(=O)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)NC(=O)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2OS.C7H8O3S/c1-4-14-9(3)16-12-7-10(13-8(2)15)5-6-11(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)