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

Systemtic Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-3-methyl-1,3-benzothiazol-3-ium tosylate Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2S1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2S1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12NS.C7H8O3S/c1-3-10-11(2)8-6-4-5-7-9(8)12-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1