2-[2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanal bromide

Systemtic Name: 2-[2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanal bromide Openeye Name: 2-[2-(4-methoxyphenyl)-4,5-dihydrothiazol-3-ium-3-yl]acetaldehyde bromide CAS Name: 2-[2-(4-methoxyphenyl)-4,5-dihydrothiazol-3-ium-3-yl]acetaldehyde bromide IUPAC Name: 2-[2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]acetaldehyde bromide Traditional Name: 2-[2-(4-methoxyphenyl)-2-thiazolin-3-ium-3-yl]acetaldehyde bromide Formula: C12H14BrNO2S MolecularWeight: 316.21406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](CCS2)CC=O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](CCS2)CC=O.[Br-]

InChI

InChI=1S/C12H14NO2S.BrH/c1-15-11-4-2-10(3-5-11)12-13(6-8-14)7-9-16-12;/h2-5,8H,6-7,9H2,1H3;1H/q+1;/p-1