2-(4-methyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanol bromide

Systemtic Name: 2-(4-methyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanol bromide Openeye Name: 2-(4-methyl-4,5-dihydrothiazol-3-ium-3-yl)-1-phenyl-ethanol bromide CAS Name: 2-(4-methyl-4,5-dihydrothiazol-3-ium-3-yl)-1-phenylethanol bromide IUPAC Name: 2-(4-methyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-phenylethanol bromide Traditional Name: 2-(4-methyl-2-thiazolin-3-ium-3-yl)-1-phenyl-ethanol bromide Formula: C12H16BrNOS MolecularWeight: 302.23054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC=[N+]1CC(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC1CSC=[N+]1CC(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C12H16NOS.BrH/c1-10-8-15-9-13(10)7-12(14)11-5-3-2-4-6-11;/h2-6,9-10,12,14H,7-8H2,1H3;1H/q+1;/p-1