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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyrrolidin-1-yl-ethanone; methanesulfonate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-pyrrolidin-1-yl-ethanone; methanesulfonate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(1-pyrrolidinyl)ethanone; methanesulfonate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyrrolidin-1-ylethanone; methanesulfonate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-pyrrolidino-ethanone mesylate Formula: C12H20N2O4S2 MolecularWeight: 320.4282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N2OS.CH4O3S/c1-9-10(2)15-8-13(9)7-11(14)12-5-3-4-6-12;1-5(2,3)4/h8H,3-7H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1