1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide CAS Name: 1-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-3,3-dimethylbutan-2-one bromide Traditional Name: 1-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-3,3-dimethyl-butan-2-one bromide Formula: C12H20BrNO2S MolecularWeight: 322.2617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C(C)(C)C)CCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C(C)(C)C)CCO.[Br-]

InChI

InChI=1S/C12H20NO2S.BrH/c1-9-10(5-6-14)16-8-13(9)7-11(15)12(2,3)4;/h8,14H,5-7H2,1-4H3;1H/q+1;/p-1