2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyrrolidin-1-yl-ethanone; 4-methylbenzenesulfonate

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyrrolidin-1-yl-ethanone; 4-methylbenzenesulfonate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-pyrrolidin-1-yl-ethanone; 4-methylbenzenesulfonate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(1-pyrrolidinyl)ethanone; 4-methylbenzenesulfonate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyrrolidin-1-ylethanone; 4-methylbenzenesulfonate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-pyrrolidino-ethanone tosylate Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC=[N+]1CC(=O)N2CCCC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC=[N+]1CC(=O)N2CCCC2)C

InChI

InChI=1S/C11H17N2OS.C7H8O3S/c1-9-10(2)15-8-13(9)7-11(14)12-5-3-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h8H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1