(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic 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 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H15BrClN2O3S+ MolecularWeight: 454.7453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)Cl

InChI

InChI=1S/C18H14BrClN2O3S/c19-12-1-6-16-21-14(9-17(23)22(16)10-12)11-25-18(24)7-8-26-15-4-2-13(20)3-5-15/h1-6,9-10H,7-8,11H2/p+1