4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzamide

Systemtic Name: 4-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzamide Openeye Name: 4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzamide CAS Name: 4-[[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]methyl]benzamide IUPAC Name: 4-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzamide Traditional Name: 4-[[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]methyl]benzamide Formula: C17H15BrN3O2S+ MolecularWeight: 405.2889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)N

InChI

InChI=1S/C17H14BrN3O2S/c18-13-5-6-15-20-14(7-16(22)21(15)8-13)10-24-9-11-1-3-12(4-2-11)17(19)23/h1-8H,9-10H2,(H2,19,23)/p+1