5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydrothiazol-3-ium-2-amine bromide CAS Name: 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydrothiazol-3-ium-2-amine bromide IUPAC Name: 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [5-(bromomethyl)-2-thiazolin-3-ium-2-yl]-(4-fluorobenzyl)amine bromide Formula: C11H13Br2FN2S MolecularWeight: 384.105723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=[NH+]1)NCC2=CC=C(C=C2)F)CBr.[Br-]

Isomeric SMILES

C1C(SC(=[NH+]1)NCC2=CC=C(C=C2)F)CBr.[Br-]

InChI

InChI=1S/C11H12BrFN2S.BrH/c12-5-10-7-15-11(16-10)14-6-8-1-3-9(13)4-2-8;/h1-4,10H,5-7H2,(H,14,15);1H