3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-ol tosylate Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NOS.C7H8O3S/c1-3-11-7(2)13-10-5-4-8(12)6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)