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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H19BrN3OS+ MolecularWeight: 405.33196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)N3C=C(C=CC3=N2)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+1