7-bromanyl-2-[(4-methylsulfanylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[(4-methylsulfanylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(4-methylsulfanylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[4-(methylthio)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(4-methylsulfanylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[4-(methylthio)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H14BrN2O2S+ MolecularWeight: 378.26356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C16H13BrN2O2S/c1-22-14-5-3-13(4-6-14)21-10-12-8-16(20)19-9-11(17)2-7-15(19)18-12/h2-9H,10H2,1H3/p+1