3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2,4-dimethyl-thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2,4-dimethylthiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2,4-dimethyl-thiazol-3-ium tosylate Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12NS.C7H8O3S/c1-4-8-6(2)5-9-7(8)3;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1