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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-phenylbutanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic 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 (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H18BrN2O3+ MolecularWeight: 402.26182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3/c1-2-16(13-6-4-3-5-7-13)19(24)25-12-15-10-18(23)22-11-14(20)8-9-17(22)21-15/h3-11,16H,2,12H2,1H3/p+1/t16-/m1/s1