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

Systemtic Name: 2-[2-[(3-bromophenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Openeye Name: 2-[2-[(3-bromophenyl)methyl]thiazol-3-ium-4-yl]ethylammonium dibromide CAS Name: 2-[2-[(3-bromophenyl)methyl]-4-thiazol-3-iumyl]ethylammonium dibromide IUPAC Name: 2-[2-[(3-bromophenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Traditional Name: 2-[2-(3-bromobenzyl)thiazol-3-ium-4-yl]ethylammonium dibromide Formula: C12H15Br3N2S MolecularWeight: 459.0379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2S.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