ethyl 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate

Systemtic Name: ethyl 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate Openeye Name: ethyl 3-ethyl-2,4-dimethyl-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2,4-dimethyl-5-thiazol-3-iumcarboxylic acid ethyl ester; 4-methylbenzenesulfonate IUPAC Name: ethyl 3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2,4-dimethyl-thiazol-3-ium-5-carboxylic acid ethyl ester tosylate Formula: C17H23NO5S2 MolecularWeight: 385.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16NO2S.C7H8O3S/c1-5-11-7(3)9(14-8(11)4)10(12)13-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1