(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H20BrN3OS+2 MolecularWeight: 406.3399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-21(10-13-3-6-16(24-2)7-4-13)12-15-9-18(23)22-11-14(19)5-8-17(22)20-15/h3-9,11H,10,12H2,1-2H3/p+2