(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)propanoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)propionic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)[N+]2=CC=CC=C2N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=CC(=O)[N+]2=CC=CC=C2N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-14(21-20(26)28-12-15-7-3-2-4-8-15)19(25)27-13-16-11-18(24)23-10-6-5-9-17(23)22-16/h2-11,14H,12-13H2,1H3,(H,21,26)/p+1/t14-/m1/s1