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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H17BrClN2O3S+ MolecularWeight: 468.77188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

InChI

InChI=1S/C19H16BrClN2O3S/c20-13-3-8-17-22-15(10-18(24)23(17)11-13)12-26-19(25)2-1-9-27-16-6-4-14(21)5-7-16/h3-8,10-11H,1-2,9,12H2/p+1