3-ethyl-8-hexadecyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide

Systemtic Name: 3-ethyl-8-hexadecyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide Openeye Name: 3-ethyl-8-hexadecyl-2-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide CAS Name: 3-ethyl-8-hexadecyl-2-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide IUPAC Name: 3-ethyl-8-hexadecyl-2-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-8-ium bromide Traditional Name: 8-cetyl-3-ethyl-2-methyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-8-ium bromide Formula: C25H47BrN2S MolecularWeight: 487.62308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C2N(CCC1)C(=C(S2)C)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C2N(CCC1)C(=C(S2)C)CC.[Br-]

InChI

InChI=1S/C25H47N2S.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-21-19-22-27-24(5-2)23(3)28-25(26)27;/h4-22H2,1-3H3;1H/q+1;/p-1