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

Systemtic Name: 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Openeye Name: 2-[2-[(3-methoxyphenyl)methyl]thiazol-3-ium-4-yl]ethylammonium dibromide CAS Name: 2-[2-[(3-methoxyphenyl)methyl]-4-thiazol-3-iumyl]ethylammonium dibromide IUPAC Name: 2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-3-ium-4-yl]ethylazanium dibromide Traditional Name: 2-(2-m-anisylthiazol-3-ium-4-yl)ethylammonium dibromide Formula: C13H18Br2N2OS MolecularWeight: 410.16782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=[NH+]C(=CS2)CC[NH3+].[Br-].[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)CC2=[NH+]C(=CS2)CC[NH3+].[Br-].[Br-]

InChI

InChI=1S/C13H16N2OS.2BrH/c1-16-12-4-2-3-10(7-12)8-13-15-11(5-6-14)9-17-13;;/h2-4,7,9H,5-6,8,14H2,1H3;2*1H