3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-methyl-4,5-dihydrothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-methyl-4,5-dihydrothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-methyl-2-thiazolin-3-ium tosylate Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C6H12NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-7-4-5-8-6(7)2/h2-5H,1H3,(H,8,9,10);3-5H2,1-2H3/q;+1/p-1