tert-butyl 1-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(3-methylisothiazol-5-yl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(3-methyl-5-isothiazolyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(3-methylisothiazol-5-yl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1)[N+]2(CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NSC(=C1)[N+]2(CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21N2O2S/c1-10-9-11(18-14-10)15(7-5-6-8-15)12(16)17-13(2,3)4/h9H,5-8H2,1-4H3/q+1