(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic 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 (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H19BrN3O5+ MolecularWeight: 497.31806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H18BrN3O5/c24-16-8-9-20-25-17(12-21(28)27(20)13-16)14-32-23(30)18(11-15-5-2-1-3-6-15)26-22(29)19-7-4-10-31-19/h1-10,12-13,18H,11,14H2,(H,26,29)/p+1/t18-/m0/s1