2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide

Systemtic Name: 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Openeye Name: 2-[2-[(3-fluorophenyl)methyl]thiazol-3-ium-4-yl]ethylammonium dibromide CAS Name: 2-[2-[(3-fluorophenyl)methyl]-4-thiazol-3-iumyl]ethylammonium dibromide IUPAC Name: 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Traditional Name: 2-[2-(3-fluorobenzyl)thiazol-3-ium-4-yl]ethylammonium dibromide Formula: C12H15Br2FN2S MolecularWeight: 398.132303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC2=[NH+]C(=CS2)CC[NH3+].[Br-].[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)F)CC2=[NH+]C(=CS2)CC[NH3+].[Br-].[Br-]

InChI

InChI=1S/C12H13FN2S.2BrH/c13-10-3-1-2-9(6-10)7-12-15-11(4-5-14)8-16-12;;/h1-3,6,8H,4-5,7,14H2;2*1H